ethyl 3-[[5-(4-bromophenyl)-6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate

Systemtic Name: ethyl 3-[[5-(4-bromophenyl)-6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: ethyl 3-[[5-(4-bromophenyl)-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 3-[[5-(4-bromophenyl)-6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 3-[[5-(4-bromophenyl)-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid ethyl ester Formula: C24H21BrN2O3S MolecularWeight: 497.40414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=CN(C2=O)CC3=CC=CC(=C3)C(=O)OCC)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C2=C(S1)N=CN(C2=O)CC3=CC=CC(=C3)C(=O)OCC)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H21BrN2O3S/c1-3-19-20(16-8-10-18(25)11-9-16)21-22(31-19)26-14-27(23(21)28)13-15-6-5-7-17(12-15)24(29)30-4-2/h5-12,14H,3-4,13H2,1-2H3