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

Systemtic Name: 3-(2-methylsulfanylethyl)-5-(2-methylsulfonylethyl)-4,6-bis(oxidanylidene)-1-[4-(2-phenylethenyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-(2-methylsulfanylethyl)-5-(2-methylsulfonylethyl)-4,6-dioxo-1-(4-styrylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-(2-methylsulfonylethyl)-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: 3-(2-methylsulfanylethyl)-5-(2-methylsulfonylethyl)-4,6-dioxo-1-[4-(2-phenylethenyl)phenyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 4,6-diketo-5-(2-mesylethyl)-3-[2-(methylthio)ethyl]-1-(4-styrylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C27H30N2O6S2 MolecularWeight: 542.6669

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1(C2C(C(N1)C3=CC=C(C=C3)C=CC4=CC=CC=C4)C(=O)N(C2=O)CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CSCCC1(C2C(C(N1)C3=CC=C(C=C3)C=CC4=CC=CC=C4)C(=O)N(C2=O)CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C27H30N2O6S2/c1-36-16-14-27(26(32)33)22-21(24(30)29(25(22)31)15-17-37(2,34)35)23(28-27)20-12-10-19(11-13-20)9-8-18-6-4-3-5-7-18/h3-13,21-23,28H,14-17H2,1-2H3,(H,32,33)