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

Systemtic Name: 3-[2-(3-acetamidophenyl)sulfanylethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-(3-acetamidophenyl)sulfanylacetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[(3-acetamidophenyl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-(3-acetamidophenyl)sulfanylacetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[(3-acetamidophenyl)thio]acetyl]amino]-4-methyl-benzoic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=CC(=C2)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=CC(=C2)NC(=O)C

InChI

InChI=1S/C18H18N2O4S/c1-11-6-7-13(18(23)24)8-16(11)20-17(22)10-25-15-5-3-4-14(9-15)19-12(2)21/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)