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

Systemtic Name: ethyl 2-[(E)-2-(3-bromophenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H15BrN2O3S MolecularWeight: 419.2923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C=CC3=CC(=CC=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)/C=C/C3=CC(=CC=C3)Br)C

InChI

InChI=1S/C18H15BrN2O3S/c1-3-24-18(23)15-10(2)14-16(22)20-13(21-17(14)25-15)8-7-11-5-4-6-12(19)9-11/h4-9H,3H2,1-2H3,(H,20,21,22)/b8-7+