phenethyl 3-[2-(5-bromanyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 3-[2-(5-bromanyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-[2-(5-bromobenzofuran-2-yl)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(5-bromo-2-benzofuranyl)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 3-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(5-bromobenzofuran-2-yl)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C26H19BrN2O5S MolecularWeight: 551.40846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)C3=CC4=C(O3)C=CC(=C4)Br)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)C3=CC4=C(O3)C=CC(=C4)Br)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C26H19BrN2O5S/c1-15-22-24(35-23(15)26(32)33-10-9-16-5-3-2-4-6-16)28-14-29(25(22)31)13-19(30)21-12-17-11-18(27)7-8-20(17)34-21/h2-8,11-12,14H,9-10,13H2,1H3