ethyl 3-chloranyl-4-[3-(4-methylphenyl)sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[3-(4-methylphenyl)sulfanylpropanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[3-(p-tolylsulfanyl)propanoylamino]benzoate CAS Name: 3-chloro-4-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[3-(4-methylphenyl)sulfanylpropanoylamino]benzoate Traditional Name: 3-chloro-4-[3-(p-tolylthio)propanoylamino]benzoic acid ethyl ester Formula: C19H20ClNO3S MolecularWeight: 377.885

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CCSC2=CC=C(C=C2)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CCSC2=CC=C(C=C2)C)Cl

InChI

InChI=1S/C19H20ClNO3S/c1-3-24-19(23)14-6-9-17(16(20)12-14)21-18(22)10-11-25-15-7-4-13(2)5-8-15/h4-9,12H,3,10-11H2,1-2H3,(H,21,22)