4-chloranyl-2-[2-(1-phenylethylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-2-[2-(1-phenylethylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 4-chloro-2-[[2-(1-phenylethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 4-chloro-2-[[1-oxo-2-(1-phenylethylthio)ethyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[2-(1-phenylethylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 4-chloro-2-[[2-(1-phenylethylthio)acetyl]amino]benzoic acid Formula: C17H16ClNO3S MolecularWeight: 349.83184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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