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

Systemtic Name: ethyl 2-oxidanylidene-4-phenyl-5-sulfanylidene-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylate Openeye Name: ethyl 2-oxo-4-phenyl-5-thioxo-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylate CAS Name: 2-oxo-4-phenyl-5-sulfanylidene-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-4-phenyl-5-sulfanylidene-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylate Traditional Name: 2-keto-4-phenyl-5-thioxo-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylic acid ethyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC2=C(C1=S)C(CC(=O)N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC2=C(C1=S)C(CC(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C16H16N2O3S/c1-2-21-16(20)18-9-12-14(15(18)22)11(8-13(19)17-12)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,17,19)