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

Systemtic Name: methyl 2-(2-chlorophenyl)-2-[(3E)-3-(2-methoxy-2-oxidanylidene-ethylidene)-4-sulfanyl-piperidin-1-yl]ethanoate Openeye Name: methyl 2-(2-chlorophenyl)-2-[(3E)-3-(2-methoxy-2-oxo-ethylidene)-4-sulfanyl-1-piperidyl]acetate CAS Name: 2-(2-chlorophenyl)-2-[(3E)-4-mercapto-3-(2-methoxy-2-oxoethylidene)-1-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-chlorophenyl)-2-[(3E)-3-(2-methoxy-2-oxoethylidene)-4-sulfanylpiperidin-1-yl]acetate Traditional Name: 2-(2-chlorophenyl)-2-[(3E)-3-(2-keto-2-methoxy-ethylidene)-4-mercapto-piperidino]acetic acid methyl ester Formula: C17H20ClNO4S MolecularWeight: 369.863

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C1CN(CCC1S)C(C2=CC=CC=C2Cl)C(=O)OC

Isomeric SMILES

COC(=O)/C=C/1\CN(CCC1S)C(C2=CC=CC=C2Cl)C(=O)OC

InChI

InChI=1S/C17H20ClNO4S/c1-22-15(20)9-11-10-19(8-7-14(11)24)16(17(21)23-2)12-5-3-4-6-13(12)18/h3-6,9,14,16,24H,7-8,10H2,1-2H3/b11-9+