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

Systemtic Name: ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-thioxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chlorophenyl)methyl]-5-methyl-4-sulfanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(4-chlorobenzyl)-5-methyl-4-thioxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H15ClN2O2S2 MolecularWeight: 378.8962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=S)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=S)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C17H15ClN2O2S2/c1-3-22-17(21)14-9(2)13-15(23)19-12(20-16(13)24-14)8-10-4-6-11(18)7-5-10/h4-7H,3,8H2,1-2H3,(H,19,20,23)