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

Systemtic Name: 3-[2-(4-acetamidophenyl)sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-(4-acetamidophenyl)sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[2-[(4-acetamidophenyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-(4-acetamidophenyl)sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[(4-acetamidophenyl)thio]propanoylamino]benzoic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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