ethyl 5-methyl-3-[(4-methylsulfanylphenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-3-[(4-methylsulfanylphenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-3-[(4-methylsulfanylphenyl)methyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[[4-(methylthio)phenyl]methyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-3-[(4-methylsulfanylphenyl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-[4-(methylthio)benzyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC3=CC=C(C=C3)SC)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC3=CC=C(C=C3)SC)C

InChI

InChI=1S/C18H18N2O3S2/c1-4-23-18(22)15-11(2)14-16(25-15)19-10-20(17(14)21)9-12-5-7-13(24-3)8-6-12/h5-8,10H,4,9H2,1-3H3