methyl 4-(4-bromophenyl)-2-oxidanylidene-5-sulfanylidene-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-oxidanylidene-5-sulfanylidene-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-oxo-5-thioxo-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylate CAS Name: 4-(4-bromophenyl)-2-oxo-5-sulfanylidene-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-oxo-5-sulfanylidene-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylate Traditional Name: 4-(4-bromophenyl)-2-keto-5-thioxo-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylic acid methyl ester Formula: C15H13BrN2O3S MolecularWeight: 381.24432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CC2=C(C1=S)C(CC(=O)N2)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)N1CC2=C(C1=S)C(CC(=O)N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C15H13BrN2O3S/c1-21-15(20)18-7-11-13(14(18)22)10(6-12(19)17-11)8-2-4-9(16)5-3-8/h2-5,10H,6-7H2,1H3,(H,17,19)