[3-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-oxidanylidene-2-propyl-[1]benzothiolo[2,3-d]pyrimidin-8-yl] ethanoate

Systemtic Name: [3-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-oxidanylidene-2-propyl-[1]benzothiolo[2,3-d]pyrimidin-8-yl] ethanoate Openeye Name: [3-[(5-bromo-2-methoxy-phenyl)methyl]-4-oxo-2-propyl-benzothiopheno[2,3-d]pyrimidin-8-yl] acetate CAS Name: acetic acid [3-[(5-bromo-2-methoxyphenyl)methyl]-4-oxo-2-propyl-[1]benzothiolo[2,3-d]pyrimidin-8-yl] ester IUPAC Name: [3-[(5-bromo-2-methoxyphenyl)methyl]-4-oxo-2-propyl-[1]benzothiolo[2,3-d]pyrimidin-8-yl] acetate Traditional Name: acetic acid [3-(5-bromo-2-methoxy-benzyl)-4-keto-2-propyl-benzothiopheno[2,3-d]pyrimidin-8-yl] ester Formula: C23H21BrN2O4S MolecularWeight: 501.39284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C3=C(S2)C(=CC=C3)OC(=O)C)C(=O)N1CC4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CCCC1=NC2=C(C3=C(S2)C(=CC=C3)OC(=O)C)C(=O)N1CC4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C23H21BrN2O4S/c1-4-6-19-25-22-20(16-7-5-8-18(21(16)31-22)30-13(2)27)23(28)26(19)12-14-11-15(24)9-10-17(14)29-3/h5,7-11H,4,6,12H2,1-3H3