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

Systemtic Name: (2R)-2-[5-(4-bromophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]butanoate Openeye Name: (2R)-2-[5-(4-bromophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]butanoate CAS Name: (2R)-2-[5-(4-bromophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoate IUPAC Name: (2R)-2-[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoate Traditional Name: (2R)-2-[5-(4-bromophenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]butyrate Formula: C16H12BrN2O3S- MolecularWeight: 392.24708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC[C@H](C(=O)[O-])N1C=NC2=C(C1=O)C(=CS2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H13BrN2O3S/c1-2-12(16(21)22)19-8-18-14-13(15(19)20)11(7-23-14)9-3-5-10(17)6-4-9/h3-8,12H,2H2,1H3,(H,21,22)/p-1/t12-/m1/s1