3-(2-acetamidoethylsulfanylmethyl)-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-(2-acetamidoethylsulfanylmethyl)-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 3-(2-acetamidoethylsulfanylmethyl)-4-oxo-4-(p-tolyl)butanoic acid CAS Name: 3-[(2-acetamidoethylthio)methyl]-4-(4-methylphenyl)-4-oxobutanoic acid IUPAC Name: 3-(2-acetamidoethylsulfanylmethyl)-4-(4-methylphenyl)-4-oxobutanoic acid Traditional Name: 3-[(2-acetamidoethylthio)methyl]-4-keto-4-(p-tolyl)butyric acid Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(CC(=O)O)CSCCNC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(CC(=O)O)CSCCNC(=O)C

InChI

InChI=1S/C16H21NO4S/c1-11-3-5-13(6-4-11)16(21)14(9-15(19)20)10-22-8-7-17-12(2)18/h3-6,14H,7-10H2,1-2H3,(H,17,18)(H,19,20)