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8.2665
6.4712
9.6325
9.4476
7.9005
10.8488
3.309
4.777
7.0064
5.3122
9.5755
8.7665
7.9575
9.2665
10.5266
8.7665
9.8543
6.2633
9.6325
10.0353
10.4986
4.5691
9.6286
3.618
2.809
2
2.309
10.7182
11.1162
10.335
6.8775
9.4205
9.022
10.5493
10.466
5.1833
10.8086
11.0355
10.1886
9.0622
9.3764
10.195
2.809
1.4103
1.9446
-0.5469
-0.9341
2.492
-2.2694
2.492
-1.2514
0.944
-1.2942
0.7132
0.3531
0.4042
0.992
0.4042
-0.5469
0.7132
1.992
-1.3559
0.0441
3.492
-3.0784
3.992
-0.316
-3.992
-0.007
-0.5948
-0.007
0.944
0.1236
0.9048
1.3029
1.3197
4.0746
3.3843
-3.4251
-2.6324
0.9596
3.455
4.302
4.5289
-3.7398
-4.5584
-4.2442
-1.2148
-0.1986
1.4456
8
8
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8
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7
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
588
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
8
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
2
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
8
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371E07B380060000000000000000000000000012240000000000000000000000001E000001E04100000000C04A1D802338D82C004488C02A9D2D802830880652819088811C64CC88E263AE4B5BF8719A8EEC11378E9E698370A0E80000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
diethyl 5-(furan-2-carbonylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
5-[[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
diethyl 5-(furan-2-carbonylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
diethyl 5-(furan-2-ylcarbonylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
5-(2-furoylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester
InChI
Standard
1
1.0.4
InChI
nist.gov
2012.02.08
InChI=1S/C17H18N2O6S2/c1-4-23-15(21)11-9(3)12(16(22)24-5-2)27-14(11)19-17(26)18-13(20)10-7-6-8-25-10/h6-8H,4-5H2,1-3H3,(H2,18,19,20,26)
InChIKey
Standard
1
1.0.4
InChI
nist.gov
2012.02.08
MFWSFIUBWNCUPB-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
4.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
410.060628
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C17H18N2O6S2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
410.46462
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=CC=CO2
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=CC=CO2
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
167
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
410.060628
27
0
0
0
0
0
0
0
1
39