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

Systemtic Name: 4-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[(3-cyano-5-methyl-4-p-cumenyl-2-thienyl)amino]-4-keto-butyric acid Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CCC(=O)O)C#N)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CCC(=O)O)C#N)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C19H20N2O3S/c1-11(2)13-4-6-14(7-5-13)18-12(3)25-19(15(18)10-20)21-16(22)8-9-17(23)24/h4-7,11H,8-9H2,1-3H3,(H,21,22)(H,23,24)