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

Systemtic Name: methyl 4-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 4-[2-(5-bromo-2-thienyl)-2-oxo-ethyl]sulfanyl-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[[2-(5-bromo-2-thiophenyl)-2-oxoethyl]thio]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]sulfanyl-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[[2-(5-bromo-2-thienyl)-2-keto-ethyl]thio]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C16H13BrN2O3S3 MolecularWeight: 457.38502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)C3=CC=C(S3)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)C3=CC=C(S3)Br)C(=O)OC

InChI

InChI=1S/C16H13BrN2O3S3/c1-7-12-14(23-6-9(20)10-4-5-11(17)24-10)18-8(2)19-15(12)25-13(7)16(21)22-3/h4-5H,6H2,1-3H3