ethyl 5-methyl-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-3-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-3-phenyl-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-3-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-phenyl-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H14N2O3S2 MolecularWeight: 346.42396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O3S2/c1-3-21-15(20)12-9(2)11-13(23-12)17-16(22)18(14(11)19)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,17,22)