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

Systemtic Name: methyl 3-[[5-(4-bromophenyl)-6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H19BrN2O3S MolecularWeight: 483.37756

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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)OC)C4=CC=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrN2O3S/c1-3-18-19(15-7-9-17(24)10-8-15)20-21(30-18)25-13-26(22(20)27)12-14-5-4-6-16(11-14)23(28)29-2/h4-11,13H,3,12H2,1-2H3