4-[[3-cyano-4-(4-ethylphenyl)-5-methyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-cyano-4-(4-ethylphenyl)-5-methyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thienyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-cyano-4-(4-ethylphenyl)-5-methyl-2-thienyl]amino]-4-keto-butyric acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)CCC(=O)O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)CCC(=O)O)C

InChI

InChI=1S/C18H18N2O3S/c1-3-12-4-6-13(7-5-12)17-11(2)24-18(14(17)10-19)20-15(21)8-9-16(22)23/h4-7H,3,8-9H2,1-2H3,(H,20,21)(H,22,23)