(7-ethanoylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl (3R)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (7-ethanoylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl (3R)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl (3R)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydro-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl (3R)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxylic acid (7-acetylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl ester Formula: C24H26N2O6S MolecularWeight: 470.53804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N=C1CCC2=C(C=C(OC2C1)O)COC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)SC

Isomeric SMILES

CC(=O)N=C1CCC2=C(C=C(OC2C1)O)COC(=O)[C@@H]3CC(=O)N(C3)C4=CC(=CC=C4)SC

InChI

InChI=1S/C24H26N2O6S/c1-14(27)25-17-6-7-20-16(9-23(29)32-21(20)10-17)13-31-24(30)15-8-22(28)26(12-15)18-4-3-5-19(11-18)33-2/h3-5,9,11,15,21,29H,6-8,10,12-13H2,1-2H3/t15-,21?/m1/s1