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

Systemtic Name: 3-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[2-[(4-acetamidophenyl)thio]-1-oxopropyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-4-methylbenzoic acid Traditional Name: 3-[2-[(4-acetamidophenyl)thio]propanoylamino]-4-methyl-benzoic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C19H20N2O4S/c1-11-4-5-14(19(24)25)10-17(11)21-18(23)12(2)26-16-8-6-15(7-9-16)20-13(3)22/h4-10,12H,1-3H3,(H,20,22)(H,21,23)(H,24,25)