methyl 2-(2-chlorophenyl)-2-[(3E)-4-ethanoylsulfanyl-3-(2-ethoxy-2-oxidanylidene-ethylidene)piperidin-1-yl]ethanoate

Systemtic Name: methyl 2-(2-chlorophenyl)-2-[(3E)-4-ethanoylsulfanyl-3-(2-ethoxy-2-oxidanylidene-ethylidene)piperidin-1-yl]ethanoate Openeye Name: methyl 2-[(3E)-4-acetylsulfanyl-3-(2-ethoxy-2-oxo-ethylidene)-1-piperidyl]-2-(2-chlorophenyl)acetate CAS Name: 2-[(3E)-4-(acetylthio)-3-(2-ethoxy-2-oxoethylidene)-1-piperidinyl]-2-(2-chlorophenyl)acetic acid methyl ester IUPAC Name: methyl 2-[(3E)-4-acetylsulfanyl-3-(2-ethoxy-2-oxoethylidene)piperidin-1-yl]-2-(2-chlorophenyl)acetate Traditional Name: 2-[(3E)-4-(acetylthio)-3-(2-ethoxy-2-keto-ethylidene)piperidino]-2-(2-chlorophenyl)acetic acid methyl ester Formula: C20H24ClNO5S MolecularWeight: 425.92626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C1CN(CCC1SC(=O)C)C(C2=CC=CC=C2Cl)C(=O)OC

Isomeric SMILES

CCOC(=O)/C=C/1\CN(CCC1SC(=O)C)C(C2=CC=CC=C2Cl)C(=O)OC

InChI

InChI=1S/C20H24ClNO5S/c1-4-27-18(24)11-14-12-22(10-9-17(14)28-13(2)23)19(20(25)26-3)15-7-5-6-8-16(15)21/h5-8,11,17,19H,4,9-10,12H2,1-3H3/b14-11+