methyl 2-[(2-bromophenyl)sulfanylmethyl]-5-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-[(2-bromophenyl)sulfanylmethyl]-5-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[(2-bromophenyl)sulfanylmethyl]-5-(2-methoxy-2-oxo-ethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(2-bromophenyl)thio]methyl]-5-(2-methoxy-2-oxoethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-bromophenyl)sulfanylmethyl]-5-(2-methoxy-2-oxoethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(2-bromophenyl)thio]methyl]-4-keto-5-(2-keto-2-methoxy-ethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C18H15BrN2O5S2 MolecularWeight: 483.3561

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(SC2=C1C(=O)NC(=N2)CSC3=CC=CC=C3Br)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(SC2=C1C(=O)NC(=N2)CSC3=CC=CC=C3Br)C(=O)OC

InChI

InChI=1S/C18H15BrN2O5S2/c1-25-13(22)7-9-14-16(23)20-12(8-27-11-6-4-3-5-10(11)19)21-17(14)28-15(9)18(24)26-2/h3-6H,7-8H2,1-2H3,(H,20,21,23)