2-chloranyl-5-[2-(4-methylphenyl)sulfanylpropanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-(4-methylphenyl)sulfanylpropanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-(p-tolylsulfanyl)propanoylamino]benzoic acid CAS Name: 2-chloro-5-[[2-[(4-methylphenyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-(4-methylphenyl)sulfanylpropanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-(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)SC(C)C(=O)NC2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO3S/c1-10-3-6-13(7-4-10)23-11(2)16(20)19-12-5-8-15(18)14(9-12)17(21)22/h3-9,11H,1-2H3,(H,19,20)(H,21,22)