ethyl 6-[(3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridin-4-yl)carbonyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridin-4-yl)carbonyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carbonyl)oxymethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinyl]-oxomethoxy]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)oxymethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[3-cyano-6-cyclopropyl-2-(methylthio)isonicotinoyl]oxymethyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H22N4O5S2 MolecularWeight: 498.57458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)C3=CC(=NC(=C3C#N)SC)C4CC4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)C3=CC(=NC(=C3C#N)SC)C4CC4

InChI

InChI=1S/C23H22N4O5S2/c1-3-31-22(29)18-16(26-23(30)27-19(18)17-5-4-8-34-17)11-32-21(28)13-9-15(12-6-7-12)25-20(33-2)14(13)10-24/h4-5,8-9,12,19H,3,6-7,11H2,1-2H3,(H2,26,27,30)