(5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: (5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinecarboxylic acid (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl ester IUPAC Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylic acid (5-carbethoxy-2-keto-3,4-dihydro-1H-pyrimidin-6-yl)methyl ester Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2=C(C3=C(S2)N=C(C=C3C)C)N4C=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)C2=C(C3=C(S2)N=C(C=C3C)C)N4C=CC=C4

InChI

InChI=1S/C22H22N4O5S/c1-4-30-20(27)14-10-23-22(29)25-15(14)11-31-21(28)18-17(26-7-5-6-8-26)16-12(2)9-13(3)24-19(16)32-18/h5-9H,4,10-11H2,1-3H3,(H2,23,25,29)