methyl 3-[[2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-[2-(4-chlorophenyl)ethylamino]-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-[2-(4-chlorophenyl)ethylamino]-2-keto-ethyl]thio]methyl]benzoic acid methyl ester Formula: C19H20ClNO3S MolecularWeight: 377.885

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSCC(=O)NCCC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSCC(=O)NCCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H20ClNO3S/c1-24-19(23)16-4-2-3-15(11-16)12-25-13-18(22)21-10-9-14-5-7-17(20)8-6-14/h2-8,11H,9-10,12-13H2,1H3,(H,21,22)