ethyl 4-(4-chloranyl-3-methyl-phenoxy)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-(4-chloranyl-3-methyl-phenoxy)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(4-chloro-3-methyl-phenoxy)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-chloro-3-methylphenoxy)-5-methyl-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chloro-3-methylphenoxy)-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-chloro-3-methyl-phenoxy)-5-methyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C24H21ClN2O3S2 MolecularWeight: 485.01814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)OC4=CC(=C(C=C4)Cl)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)OC4=CC(=C(C=C4)Cl)C)C

InChI

InChI=1S/C24H21ClN2O3S2/c1-4-29-24(28)21-15(3)20-22(30-16-10-11-18(25)14(2)12-16)26-19(27-23(20)32-21)13-31-17-8-6-5-7-9-17/h5-12H,4,13H2,1-3H3