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

Systemtic Name: methyl 4-(4-ethoxyphenyl)-2-oxidanylidene-5-sulfanylidene-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylate Openeye Name: methyl 4-(4-ethoxyphenyl)-2-oxo-5-thioxo-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylate CAS Name: 4-(4-ethoxyphenyl)-2-oxo-5-sulfanylidene-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-ethoxyphenyl)-2-oxo-5-sulfanylidene-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylate Traditional Name: 2-keto-4-p-phenetyl-5-thioxo-1,3,4,7-tetrahydropyrrolo[3,4-b]pyridine-6-carboxylic acid methyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CC(=O)NC3=C2C(=S)N(C3)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CC(=O)NC3=C2C(=S)N(C3)C(=O)OC

InChI

InChI=1S/C17H18N2O4S/c1-3-23-11-6-4-10(5-7-11)12-8-14(20)18-13-9-19(17(21)22-2)16(24)15(12)13/h4-7,12H,3,8-9H2,1-2H3,(H,18,20)