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

Systemtic Name: ethyl 3-[(3-bromophenyl)methyl]-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[(3-bromophenyl)methyl]-2-(2-ethoxy-2-oxo-ethyl)sulfanyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(3-bromophenyl)methyl]-2-[(2-ethoxy-2-oxoethyl)thio]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-bromophenyl)methyl]-2-(2-ethoxy-2-oxoethyl)sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(3-bromobenzyl)-2-[(2-ethoxy-2-keto-ethyl)thio]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H21BrN2O5S2 MolecularWeight: 525.43584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N1CC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N1CC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H21BrN2O5S2/c1-4-28-15(25)11-30-21-23-18-16(12(3)17(31-18)20(27)29-5-2)19(26)24(21)10-13-7-6-8-14(22)9-13/h6-9H,4-5,10-11H2,1-3H3