2-methoxy-5-[(2-phenylsulfanylethanoylamino)methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[(2-phenylsulfanylethanoylamino)methyl]benzoic acid Openeye Name: 2-methoxy-5-[[(2-phenylsulfanylacetyl)amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[1-oxo-2-(phenylthio)ethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[(2-phenylsulfanylacetyl)amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[2-(phenylthio)acetyl]amino]methyl]benzoic acid Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H17NO4S/c1-22-15-8-7-12(9-14(15)17(20)21)10-18-16(19)11-23-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,18,19)(H,20,21)