3-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[2-[(3-acetamidophenyl)thio]-1-oxobutyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4-methylbenzoic acid Traditional Name: 3-[2-[(3-acetamidophenyl)thio]butanoylamino]-4-methyl-benzoic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C)SC2=CC=CC(=C2)NC(=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C)SC2=CC=CC(=C2)NC(=O)C

InChI

InChI=1S/C20H22N2O4S/c1-4-18(27-16-7-5-6-15(11-16)21-13(3)23)19(24)22-17-10-14(20(25)26)9-8-12(17)2/h5-11,18H,4H2,1-3H3,(H,21,23)(H,22,24)(H,25,26)