5-[[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[(2-chloro-5-methylsulfanyl-benzoyl)amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[(2-chloro-5-methylsulfanylbenzoyl)amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[2-chloro-5-(methylthio)benzoyl]amino]methyl]-2-methoxy-benzoic acid Formula: C17H16ClNO4S MolecularWeight: 365.83124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)SC)Cl)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)SC)Cl)C(=O)O

InChI

InChI=1S/C17H16ClNO4S/c1-23-15-6-3-10(7-13(15)17(21)22)9-19-16(20)12-8-11(24-2)4-5-14(12)18/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)