(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)sulfanylethanoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)sulfanylethanoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)sulfanylacetate CAS Name: 2-[(4-acetamidophenyl)thio]acetic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)sulfanylacetate Traditional Name: 2-[(4-acetamidophenyl)thio]acetic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C19H16BrN3O4S MolecularWeight: 462.31704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br

InChI

InChI=1S/C19H16BrN3O4S/c1-12(24)21-14-3-5-16(6-4-14)28-11-19(26)27-10-15-8-18(25)23-9-13(20)2-7-17(23)22-15/h2-9H,10-11H2,1H3,(H,21,24)