ethyl (3S,4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylsulfanyl-3-methyl-2-methylidene-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: ethyl (3S,4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylsulfanyl-3-methyl-2-methylidene-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: ethyl (3S,4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylsulfanyl-3-methyl-2-methylene-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S,4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(ethylthio)-3-methyl-2-methylene-5-oxo-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethylsulfanyl-3-methyl-2-methylidene-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S,4R)-4-(ethylthio)-1-homoveratryl-5-keto-3-methyl-2-methylene-pyrrolidine-3-carboxylic acid ethyl ester Formula: C21H29NO5S MolecularWeight: 407.52366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C(=O)N(C1=C)CCC2=CC(=C(C=C2)OC)OC)SCC)C

Isomeric SMILES

CCOC(=O)[C@]1([C@H](C(=O)N(C1=C)CCC2=CC(=C(C=C2)OC)OC)SCC)C

InChI

InChI=1S/C21H29NO5S/c1-7-27-20(24)21(4)14(3)22(19(23)18(21)28-8-2)12-11-15-9-10-16(25-5)17(13-15)26-6/h9-10,13,18H,3,7-8,11-12H2,1-2,4-6H3/t18-,21+/m0/s1