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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=S)N2)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=S)N2)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C16H14N2O3S2/c1-9-11-13(19)17-16(22)18-14(11)23-12(9)15(20)21-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,17,18,19,22)