2-methoxy-5-[[(2-methylsulfanylphenyl)carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[(2-methylsulfanylphenyl)carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[(2-methylsulfanylbenzoyl)amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[[2-(methylthio)phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(2-methylsulfanylbenzoyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[2-(methylthio)benzoyl]amino]methyl]benzoic acid Formula: C17H17NO4S MolecularWeight: 331.38618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=C2SC)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=C2SC)C(=O)O

InChI

InChI=1S/C17H17NO4S/c1-22-14-8-7-11(9-13(14)17(20)21)10-18-16(19)12-5-3-4-6-15(12)23-2/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)