4-[[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(2-chloro-5-methylsulfanyl-benzoyl)amino]methyl]benzoic acid CAS Name: 4-[[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(2-chloro-5-methylsulfanylbenzoyl)amino]methyl]benzoic acid Traditional Name: 4-[[[2-chloro-5-(methylthio)benzoyl]amino]methyl]benzoic acid Formula: C16H14ClNO3S MolecularWeight: 335.80526

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H14ClNO3S/c1-22-12-6-7-14(17)13(8-12)15(19)18-9-10-2-4-11(5-3-10)16(20)21/h2-8H,9H2,1H3,(H,18,19)(H,20,21)