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

Systemtic Name: ethyl 3-[2-(4-chlorophenyl)sulfanylethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[2-(4-chlorophenyl)sulfanylethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-[(4-chlorophenyl)thio]ethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-chlorophenyl)sulfanylethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-[(4-chlorophenyl)thio]ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H17ClN2O3S2 MolecularWeight: 408.92218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CCSC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CCSC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C18H17ClN2O3S2/c1-3-24-18(23)15-11(2)14-16(26-15)20-10-21(17(14)22)8-9-25-13-6-4-12(19)5-7-13/h4-7,10H,3,8-9H2,1-2H3