(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)OC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CC(C(=O)N1CCOCC1)OC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C21H20N2O4S/c1-15(20(24)23-10-12-26-13-11-23)27-21(25)17-7-3-5-9-19(17)28-18-8-4-2-6-16(18)14-22/h2-9,15H,10-13H2,1H3