(2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C20H20ClNO4S MolecularWeight: 405.8951

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1COCCN1C(=O)COC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClNO4S/c21-17-5-7-18(8-6-17)27-14-15-1-3-16(4-2-15)20(24)26-13-19(23)22-9-11-25-12-10-22/h1-8H,9-14H2