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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl (2S)-1-[4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylate Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl (2S)-1-[4-(4-methylsulfanylphenyl)-4-oxo-butanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[4-[4-(methylthio)phenyl]-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid 2-(3,4-dimethoxyphenyl)ethyl ester IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl (2S)-1-[4-(4-methylsulfanylphenyl)-4-oxobutanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-keto-4-[4-(methylthio)phenyl]butanoyl]pyrrolidine-2-carboxylic acid homoveratryl ester Formula: C26H31NO6S MolecularWeight: 485.59244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCOC(=O)C2CCCN2C(=O)CCC(=O)C3=CC=C(C=C3)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCOC(=O)[C@@H]2CCCN2C(=O)CCC(=O)C3=CC=C(C=C3)SC)OC

InChI

InChI=1S/C26H31NO6S/c1-31-23-12-6-18(17-24(23)32-2)14-16-33-26(30)21-5-4-15-27(21)25(29)13-11-22(28)19-7-9-20(34-3)10-8-19/h6-10,12,17,21H,4-5,11,13-16H2,1-3H3/t21-/m0/s1