5-[(4-methoxycarbonylphenyl)methyl]-3-(2-methylsulfanylethyl)-4,6-bis(oxidanylidene)-1-[4-(2-phenylethenyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 5-[(4-methoxycarbonylphenyl)methyl]-3-(2-methylsulfanylethyl)-4,6-bis(oxidanylidene)-1-[4-(2-phenylethenyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-[(4-methoxycarbonylphenyl)methyl]-3-(2-methylsulfanylethyl)-4,6-dioxo-1-(4-styrylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-[(4-methoxycarbonylphenyl)methyl]-3-[2-(methylthio)ethyl]-4,6-dioxo-1-[4-(2-phenylethenyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-[(4-methoxycarbonylphenyl)methyl]-3-(2-methylsulfanylethyl)-4,6-dioxo-1-[4-(2-phenylethenyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(4-carbomethoxybenzyl)-4,6-diketo-3-[2-(methylthio)ethyl]-1-(4-styrylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C33H32N2O6S MolecularWeight: 584.68198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C(=O)C3C(C2=O)C(NC3C4=CC=C(C=C4)C=CC5=CC=CC=C5)(CCSC)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C(=O)C3C(C2=O)C(NC3C4=CC=C(C=C4)C=CC5=CC=CC=C5)(CCSC)C(=O)O

InChI

InChI=1S/C33H32N2O6S/c1-41-31(38)25-16-12-23(13-17-25)20-35-29(36)26-27(30(35)37)33(32(39)40,18-19-42-2)34-28(26)24-14-10-22(11-15-24)9-8-21-6-4-3-5-7-21/h3-17,26-28,34H,18-20H2,1-2H3,(H,39,40)