(2R,3R)-1-cyclohexyl-2-(3-ethoxy-4-methoxy-phenyl)-3-(4-methylphenyl)sulfanyl-5-oxidanylidene-pyrrolidine-3-carboxylic acid

Systemtic Name: (2R,3R)-1-cyclohexyl-2-(3-ethoxy-4-methoxy-phenyl)-3-(4-methylphenyl)sulfanyl-5-oxidanylidene-pyrrolidine-3-carboxylic acid Openeye Name: (2R,3R)-1-cyclohexyl-2-(3-ethoxy-4-methoxy-phenyl)-5-oxo-3-(p-tolylsulfanyl)pyrrolidine-3-carboxylic acid CAS Name: (2R,3R)-1-cyclohexyl-2-(3-ethoxy-4-methoxyphenyl)-3-[(4-methylphenyl)thio]-5-oxo-3-pyrrolidinecarboxylic acid IUPAC Name: (2R,3R)-1-cyclohexyl-2-(3-ethoxy-4-methoxyphenyl)-3-(4-methylphenyl)sulfanyl-5-oxopyrrolidine-3-carboxylic acid Traditional Name: (2R,3R)-1-cyclohexyl-2-(3-ethoxy-4-methoxy-phenyl)-5-keto-3-(p-tolylthio)pyrrolidine-3-carboxylic acid Formula: C27H33NO5S MolecularWeight: 483.61962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(CC(=O)N2C3CCCCC3)(C(=O)O)SC4=CC=C(C=C4)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2[C@](CC(=O)N2C3CCCCC3)(C(=O)O)SC4=CC=C(C=C4)C)OC

InChI

InChI=1S/C27H33NO5S/c1-4-33-23-16-19(12-15-22(23)32-3)25-27(26(30)31,34-21-13-10-18(2)11-14-21)17-24(29)28(25)20-8-6-5-7-9-20/h10-16,20,25H,4-9,17H2,1-3H3,(H,30,31)/t25-,27-/m1/s1