methyl 3-[2-(4-chlorophenyl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(4-chlorophenyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(4-chlorophenyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C16H14ClNO3S MolecularWeight: 335.80526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H14ClNO3S/c1-21-16(20)11-3-2-4-13(9-11)18-15(19)10-22-14-7-5-12(17)6-8-14/h2-9H,10H2,1H3,(H,18,19)