2-chloranyl-5-[2-(phenylmethylsulfanyl)butanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-(phenylmethylsulfanyl)butanoylamino]benzoic acid Openeye Name: 5-(2-benzylsulfanylbutanoylamino)-2-chloro-benzoic acid CAS Name: 2-chloro-5-[[1-oxo-2-(phenylmethylthio)butyl]amino]benzoic acid IUPAC Name: 5-(2-benzylsulfanylbutanoylamino)-2-chlorobenzoic acid Traditional Name: 5-[2-(benzylthio)butanoylamino]-2-chloro-benzoic acid Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClNO3S/c1-2-16(24-11-12-6-4-3-5-7-12)17(21)20-13-8-9-15(19)14(10-13)18(22)23/h3-10,16H,2,11H2,1H3,(H,20,21)(H,22,23)