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

Systemtic Name: 4-[[4-(4-butan-2-ylphenyl)-3-cyano-5-methyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-cyano-5-methyl-4-(4-sec-butylphenyl)-2-thienyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-(4-butan-2-ylphenyl)-3-cyano-5-methyl-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-cyano-5-methyl-4-(4-sec-butylphenyl)-2-thienyl]amino]-4-keto-butyric acid Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-4-12(2)14-5-7-15(8-6-14)19-13(3)26-20(16(19)11-21)22-17(23)9-10-18(24)25/h5-8,12H,4,9-10H2,1-3H3,(H,22,23)(H,24,25)