4-[[4-methyl-3-[(3-methylphenyl)carbamoyl]-5-phenyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-methyl-3-[(3-methylphenyl)carbamoyl]-5-phenyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-methyl-3-(m-tolylcarbamoyl)-5-phenyl-2-thienyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-methyl-3-[(3-methylanilino)-oxomethyl]-5-phenyl-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-methyl-3-[(3-methylphenyl)carbamoyl]-5-phenylthiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[4-methyl-3-(m-tolylcarbamoyl)-5-phenyl-2-thienyl]amino]butyric acid Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(SC(=C2C)C3=CC=CC=C3)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(SC(=C2C)C3=CC=CC=C3)NC(=O)CCC(=O)O

InChI

InChI=1S/C23H22N2O4S/c1-14-7-6-10-17(13-14)24-22(29)20-15(2)21(16-8-4-3-5-9-16)30-23(20)25-18(26)11-12-19(27)28/h3-10,13H,11-12H2,1-2H3,(H,24,29)(H,25,26)(H,27,28)