ethyl 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-5-methyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-5-methyl-4-oxo-3-phenethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5-methyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-4-keto-5-methyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C26H23BrN2O4S2 MolecularWeight: 571.50582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C26H23BrN2O4S2/c1-3-33-25(32)22-16(2)21-23(35-22)28-26(34-15-20(30)18-9-11-19(27)12-10-18)29(24(21)31)14-13-17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3