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

Systemtic Name: ethyl 4-(4-nitrophenyl)-2-oxidanylidene-5-sulfanylidene-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylate Openeye Name: ethyl 4-(4-nitrophenyl)-2-oxo-5-thioxo-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylate CAS Name: 4-(4-nitrophenyl)-2-oxo-5-sulfanylidene-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-nitrophenyl)-2-oxo-5-sulfanylidene-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylate Traditional Name: 2-keto-4-(4-nitrophenyl)-5-thioxo-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylic acid ethyl ester Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC2=C(C1=S)C(CC(=O)N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CC2=C(C1=S)C(CC(=O)N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5S/c1-2-24-16(21)18-8-12-14(15(18)25)11(7-13(20)17-12)9-3-5-10(6-4-9)19(22)23/h3-6,11H,2,7-8H2,1H3,(H,17,20)