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

Systemtic Name: methyl 2-[5-(4-bromophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoate Openeye Name: methyl 2-[5-(4-bromophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]butanoate CAS Name: 2-[5-(4-bromophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoic acid methyl ester IUPAC Name: methyl 2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoate Traditional Name: 2-[5-(4-bromophenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]butyric acid methyl ester Formula: C17H15BrN2O3S MolecularWeight: 407.2816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC(C(=O)OC)N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H15BrN2O3S/c1-3-13(17(22)23-2)20-9-19-15-14(16(20)21)12(8-24-15)10-4-6-11(18)7-5-10/h4-9,13H,3H2,1-2H3