5-[[2-(4-chlorophenyl)sulfanylpropanoylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[2-(4-chlorophenyl)sulfanylpropanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[2-(4-chlorophenyl)sulfanylpropanoylamino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[2-[(4-chlorophenyl)thio]-1-oxopropyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[2-(4-chlorophenyl)sulfanylpropanoylamino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[2-[(4-chlorophenyl)thio]propanoylamino]methyl]-2-methoxy-benzoic acid Formula: C18H18ClNO4S MolecularWeight: 379.85782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)C(=O)O)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C(=O)NCC1=CC(=C(C=C1)OC)C(=O)O)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClNO4S/c1-11(25-14-6-4-13(19)5-7-14)17(21)20-10-12-3-8-16(24-2)15(9-12)18(22)23/h3-9,11H,10H2,1-2H3,(H,20,21)(H,22,23)