4-chloranyl-3-[2-(phenylmethylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-(phenylmethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 3-[(2-benzylsulfanylacetyl)amino]-4-chloro-benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]benzoic acid IUPAC Name: 3-[(2-benzylsulfanylacetyl)amino]-4-chlorobenzoic acid Traditional Name: 3-[[2-(benzylthio)acetyl]amino]-4-chloro-benzoic acid Formula: C16H14ClNO3S MolecularWeight: 335.80526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C16H14ClNO3S/c17-13-7-6-12(16(20)21)8-14(13)18-15(19)10-22-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,18,19)(H,20,21)