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

Systemtic Name: 3-(2-methylsulfanylethyl)-4,6-bis(oxidanylidene)-1-[4-(2-phenylethenyl)phenyl]-5-(2-propoxyethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-(2-methylsulfanylethyl)-4,6-dioxo-5-(2-propoxyethyl)-1-(4-styrylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-[2-(methylthio)ethyl]-4,6-dioxo-1-[4-(2-phenylethenyl)phenyl]-5-(2-propoxyethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-(2-methylsulfanylethyl)-4,6-dioxo-1-[4-(2-phenylethenyl)phenyl]-5-(2-propoxyethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 4,6-diketo-3-[2-(methylthio)ethyl]-5-(2-propoxyethyl)-1-(4-styrylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C29H34N2O5S MolecularWeight: 522.65566

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCN1C(=O)C2C(C1=O)C(NC2C3=CC=C(C=C3)C=CC4=CC=CC=C4)(CCSC)C(=O)O

Isomeric SMILES

CCCOCCN1C(=O)C2C(C1=O)C(NC2C3=CC=C(C=C3)C=CC4=CC=CC=C4)(CCSC)C(=O)O

InChI

InChI=1S/C29H34N2O5S/c1-3-17-36-18-16-31-26(32)23-24(27(31)33)29(28(34)35,15-19-37-2)30-25(23)22-13-11-21(12-14-22)10-9-20-7-5-4-6-8-20/h4-14,23-25,30H,3,15-19H2,1-2H3,(H,34,35)