(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxylic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C23H21NO6S MolecularWeight: 439.48094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)SC)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)SC)O

InChI

InChI=1S/C23H21NO6S/c1-13-19(25)7-6-18-15(9-21(27)30-22(13)18)12-29-23(28)14-8-20(26)24(11-14)16-4-3-5-17(10-16)31-2/h3-7,9-10,14,25H,8,11-12H2,1-2H3