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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)CCC(=O)O)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)CCC(=O)O)C

InChI

InChI=1S/C19H20N2O3S/c1-3-4-13-5-7-14(8-6-13)18-12(2)25-19(15(18)11-20)21-16(22)9-10-17(23)24/h5-8H,3-4,9-10H2,1-2H3,(H,21,22)(H,23,24)