methyl 2-[(E)-2-(3-bromophenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 2-[(E)-2-(3-bromophenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[(E)-2-(3-bromophenyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(E)-2-(3-bromophenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(E)-2-(3-bromophenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(E)-2-(3-bromophenyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C17H13BrN2O3S MolecularWeight: 405.26572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C=CC3=CC(=CC=C3)Br)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN2O3S/c1-9-13-15(21)19-12(7-6-10-4-3-5-11(18)8-10)20-16(13)24-14(9)17(22)23-2/h3-8H,1-2H3,(H,19,20,21)/b7-6+