tert-butyl 2-[2-methyl-1-methylsulfanyl-3,6-bis(oxidanylidene)-4-phenyl-pyrrolo[3,4-c]pyrrol-5-yl]ethanoate

Systemtic Name: tert-butyl 2-[2-methyl-1-methylsulfanyl-3,6-bis(oxidanylidene)-4-phenyl-pyrrolo[3,4-c]pyrrol-5-yl]ethanoate Openeye Name: tert-butyl 2-(2-methyl-1-methylsulfanyl-3,6-dioxo-4-phenyl-pyrrolo[3,4-c]pyrrol-5-yl)acetate CAS Name: 2-[2-methyl-1-(methylthio)-3,6-dioxo-4-phenyl-5-pyrrolo[3,4-c]pyrrolyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-methyl-1-methylsulfanyl-3,6-dioxo-4-phenylpyrrolo[3,4-c]pyrrol-5-yl)acetate Traditional Name: 2-[3,6-diketo-2-methyl-1-(methylthio)-4-phenyl-pyrrolo[3,4-c]pyrrol-5-yl]acetic acid tert-butyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(=C2C(=C(N(C2=O)C)SC)C1=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(=C2C(=C(N(C2=O)C)SC)C1=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4S/c1-20(2,3)26-13(23)11-22-16(12-9-7-6-8-10-12)14-15(18(22)25)19(27-5)21(4)17(14)24/h6-10H,11H2,1-5H3