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

Systemtic Name: 4-[2-[5-(4-bromophenyl)-6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoylamino]benzoate Openeye Name: 4-[[2-[5-(4-bromophenyl)-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[5-(4-bromophenyl)-6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[5-(4-bromophenyl)-6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[5-(4-bromophenyl)-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl]acetyl]amino]benzoate Formula: C23H17BrN3O4S- MolecularWeight: 511.36778

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC=C(C=C3)C(=O)[O-])C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NC3=CC=C(C=C3)C(=O)[O-])C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H18BrN3O4S/c1-2-17-19(13-3-7-15(24)8-4-13)20-21(32-17)25-12-27(22(20)29)11-18(28)26-16-9-5-14(6-10-16)23(30)31/h3-10,12H,2,11H2,1H3,(H,26,28)(H,30,31)/p-1