methyl 3-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 3-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 3-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzoate CAS Name: 3-[[3-[(4-chlorophenyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzoate Traditional Name: 3-[3-[(4-chlorophenyl)thio]propanoylamino]benzoic acid methyl ester Formula: C17H16ClNO3S MolecularWeight: 349.83184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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