3-(2-methylsulfanylethyl)-4,6-bis(oxidanylidene)-1-[4-(2-phenylethenyl)phenyl]-5-prop-2-ynyl-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-prop-2-ynyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-(2-methylsulfanylethyl)-4,6-dioxo-5-prop-2-ynyl-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-prop-2-ynyl-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-prop-2-ynyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 4,6-diketo-3-[2-(methylthio)ethyl]-5-propargyl-1-(4-styrylphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C27H26N2O4S MolecularWeight: 474.57134

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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)CC#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)CC#C)C(=O)O

InChI

InChI=1S/C27H26N2O4S/c1-3-16-29-24(30)21-22(25(29)31)27(26(32)33,15-17-34-2)28-23(21)20-13-11-19(12-14-20)10-9-18-7-5-4-6-8-18/h1,4-14,21-23,28H,15-17H2,2H3,(H,32,33)