4-chloranyl-2-[2-(phenylmethylsulfanyl)propanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-2-[2-(phenylmethylsulfanyl)propanoylamino]benzoic acid Openeye Name: 2-(2-benzylsulfanylpropanoylamino)-4-chloro-benzoic acid CAS Name: 4-chloro-2-[[1-oxo-2-(phenylmethylthio)propyl]amino]benzoic acid IUPAC Name: 2-(2-benzylsulfanylpropanoylamino)-4-chlorobenzoic acid Traditional Name: 2-[2-(benzylthio)propanoylamino]-4-chloro-benzoic acid Formula: C17H16ClNO3S MolecularWeight: 349.83184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)C(=O)O)SCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)Cl)C(=O)O)SCC2=CC=CC=C2

InChI

InChI=1S/C17H16ClNO3S/c1-11(23-10-12-5-3-2-4-6-12)16(20)19-15-9-13(18)7-8-14(15)17(21)22/h2-9,11H,10H2,1H3,(H,19,20)(H,21,22)