(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C21H22ClNO4S MolecularWeight: 419.92168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)OC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)N1CCOCC1)OC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClNO4S/c1-15(20(24)23-10-12-26-13-11-23)27-21(25)17-4-2-16(3-5-17)14-28-19-8-6-18(22)7-9-19/h2-9,15H,10-14H2,1H3