(phenylmethyl) 2-[[3-(4-bromophenyl)-4-oxidanylidene-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[[3-(4-bromophenyl)-4-oxidanylidene-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[3-(4-bromophenyl)-4-keto-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetic acid benzyl ester Formula: C21H17BrN2O3S2 MolecularWeight: 489.40528

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Br)SCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CSC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Br)SCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H17BrN2O3S2/c22-15-6-8-16(9-7-15)24-20(26)19-17(10-11-28-19)23-21(24)29-13-18(25)27-12-14-4-2-1-3-5-14/h1-9H,10-13H2