2-chloranyl-4-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoic acid

Systemtic Name: 2-chloranyl-4-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoic acid Openeye Name: 4-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-chloro-benzoic acid CAS Name: 4-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-2-chlorobenzoic acid IUPAC Name: 4-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-2-chlorobenzoic acid Traditional Name: 4-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-2-chloro-benzoic acid Formula: C19H18ClNO4S MolecularWeight: 391.86852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)C(=O)O)Cl

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C19H18ClNO4S/c1-12(22)26-11-14(9-13-5-3-2-4-6-13)18(23)21-15-7-8-16(19(24)25)17(20)10-15/h2-8,10,14H,9,11H2,1H3,(H,21,23)(H,24,25)