2-chloranyl-5-(3-phenylsulfanylpropanoylamino)benzoic acid

Systemtic Name: 2-chloranyl-5-(3-phenylsulfanylpropanoylamino)benzoic acid Openeye Name: 2-chloro-5-(3-phenylsulfanylpropanoylamino)benzoic acid CAS Name: 2-chloro-5-[[1-oxo-3-(phenylthio)propyl]amino]benzoic acid IUPAC Name: 2-chloro-5-(3-phenylsulfanylpropanoylamino)benzoic acid Traditional Name: 2-chloro-5-[3-(phenylthio)propanoylamino]benzoic acid Formula: C16H14ClNO3S MolecularWeight: 335.80526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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