ethyl 5-methyl-4-oxidanylidene-3-(phenylcarbonyl)-2-sulfanylidene-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-3-(phenylcarbonyl)-2-sulfanylidene-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-benzoyl-5-methyl-4-oxo-2-thioxo-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-benzoyl-5-methyl-4-oxo-2-sulfanylidene-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-5-methyl-4-oxo-2-sulfanylidene-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-benzoyl-4-keto-5-methyl-2-thioxo-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2C(S1)NC(=S)N(C2=O)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2C(S1)NC(=S)N(C2=O)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C17H16N2O4S2/c1-3-23-16(22)12-9(2)11-13(25-12)18-17(24)19(15(11)21)14(20)10-7-5-4-6-8-10/h4-8,11,13H,3H2,1-2H3,(H,18,24)