2-methoxy-5-[[[4-(methylsulfanylmethyl)phenyl]carbonylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[[4-(methylsulfanylmethyl)phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[4-(methylsulfanylmethyl)benzoyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[[4-[(methylthio)methyl]phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[4-(methylsulfanylmethyl)benzoyl]amino]methyl]benzoic acid Traditional Name: 2-methoxy-5-[[[4-[(methylthio)methyl]benzoyl]amino]methyl]benzoic acid Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO4S/c1-23-16-8-5-13(9-15(16)18(21)22)10-19-17(20)14-6-3-12(4-7-14)11-24-2/h3-9H,10-11H2,1-2H3,(H,19,20)(H,21,22)