(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C18H15Br2N2O3S+ MolecularWeight: 499.1963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C18H14Br2N2O3S/c1-11-6-12(19)2-4-15(11)26-10-18(24)25-9-14-7-17(23)22-8-13(20)3-5-16(22)21-14/h2-8H,9-10H2,1H3/p+1