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

Systemtic Name: ethyl 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-5-methyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-benzyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-5-methyl-4-oxo-3-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-benzyl-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H26N2O4S2 MolecularWeight: 458.59354

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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)SCC(=O)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=CC=C3)SCC(=O)C(C)(C)C)C

InChI

InChI=1S/C23H26N2O4S2/c1-6-29-21(28)18-14(2)17-19(31-18)24-22(30-13-16(26)23(3,4)5)25(20(17)27)12-15-10-8-7-9-11-15/h7-11H,6,12-13H2,1-5H3