2-(3,4-dimethoxyphenyl)ethyl 1-[4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoyl]piperidine-2-carboxylate

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl 1-[4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoyl]piperidine-2-carboxylate Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl 1-[4-(4-methylsulfanylphenyl)-4-oxo-butanoyl]piperidine-2-carboxylate CAS Name: 1-[4-[4-(methylthio)phenyl]-1,4-dioxobutyl]-2-piperidinecarboxylic acid 2-(3,4-dimethoxyphenyl)ethyl ester IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl 1-[4-(4-methylsulfanylphenyl)-4-oxobutanoyl]piperidine-2-carboxylate Traditional Name: 1-[4-keto-4-[4-(methylthio)phenyl]butanoyl]pipecolinic acid homoveratryl ester Formula: C27H33NO6S MolecularWeight: 499.61902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCOC(=O)C2CCCCN2C(=O)CCC(=O)C3=CC=C(C=C3)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCOC(=O)C2CCCCN2C(=O)CCC(=O)C3=CC=C(C=C3)SC)OC

InChI

InChI=1S/C27H33NO6S/c1-32-24-13-7-19(18-25(24)33-2)15-17-34-27(31)22-6-4-5-16-28(22)26(30)14-12-23(29)20-8-10-21(35-3)11-9-20/h7-11,13,18,22H,4-6,12,14-17H2,1-3H3