ethyl 1-[(E)-2-(4-chlorophenyl)-3-morpholin-4-yl-prop-2-enethioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(E)-2-(4-chlorophenyl)-3-morpholin-4-yl-prop-2-enethioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(E)-2-(4-chlorophenyl)-3-morpholino-prop-2-enethioyl]piperidine-4-carboxylate CAS Name: 1-[(E)-2-(4-chlorophenyl)-3-(4-morpholinyl)-1-sulfanylideneprop-2-enyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-2-(4-chlorophenyl)-3-morpholin-4-ylprop-2-enethioyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-2-(4-chlorophenyl)-3-morpholino-thioacryloyl]isonipecotic acid ethyl ester Formula: C21H27ClN2O3S MolecularWeight: 422.96868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)C(=CN2CCOCC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)/C(=C/N2CCOCC2)/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN2O3S/c1-2-27-21(25)17-7-9-24(10-8-17)20(28)19(15-23-11-13-26-14-12-23)16-3-5-18(22)6-4-16/h3-6,15,17H,2,7-14H2,1H3/b19-15+