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

Systemtic Name: ethyl 3-[(3-chlorophenyl)methyl]-5-methyl-2-[(2-methylphenyl)methylsulfanyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[(3-chlorophenyl)methyl]-5-methyl-2-(o-tolylmethylsulfanyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(3-chlorophenyl)methyl]-5-methyl-2-[(2-methylphenyl)methylthio]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-chlorophenyl)methyl]-5-methyl-2-[(2-methylphenyl)methylsulfanyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(3-chlorobenzyl)-4-keto-5-methyl-2-[(2-methylbenzyl)thio]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C25H23ClN2O3S2 MolecularWeight: 499.04472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC(=CC=C3)Cl)SCC4=CC=CC=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC(=CC=C3)Cl)SCC4=CC=CC=C4C)C

InChI

InChI=1S/C25H23ClN2O3S2/c1-4-31-24(30)21-16(3)20-22(33-21)27-25(32-14-18-10-6-5-8-15(18)2)28(23(20)29)13-17-9-7-11-19(26)12-17/h5-12H,4,13-14H2,1-3H3