4-chloranyl-3-[3-(4-methylphenyl)sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[3-(4-methylphenyl)sulfanylpropanoylamino]benzoic acid Openeye Name: 4-chloro-3-[3-(p-tolylsulfanyl)propanoylamino]benzoic acid CAS Name: 4-chloro-3-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[3-(4-methylphenyl)sulfanylpropanoylamino]benzoic acid Traditional Name: 4-chloro-3-[3-(p-tolylthio)propanoylamino]benzoic acid Formula: C17H16ClNO3S MolecularWeight: 349.83184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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