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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C2C(=S)N(C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C2C(=S)N(C3)C(=O)OC

InChI

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