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

Systemtic Name: ethyl 3-[2-(4-chlorophenyl)ethyl]-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[2-(4-chlorophenyl)ethyl]-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(4-chlorophenyl)ethyl]-2-[(3,3-dimethyl-2-oxobutyl)thio]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-chlorophenyl)ethyl]-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(4-chlorophenyl)ethyl]-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C24H27ClN2O4S2 MolecularWeight: 507.06518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CC=C(C=C3)Cl)SCC(=O)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CC=C(C=C3)Cl)SCC(=O)C(C)(C)C)C

InChI

InChI=1S/C24H27ClN2O4S2/c1-6-31-22(30)19-14(2)18-20(33-19)26-23(32-13-17(28)24(3,4)5)27(21(18)29)12-11-15-7-9-16(25)10-8-15/h7-10H,6,11-13H2,1-5H3