(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-thiophen-3-ylpropanoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-thiophen-3-ylpropanoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic 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 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C16H13BrN2O3S MolecularWeight: 393.25502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=CC(=O)N2C=C1Br)COC(=O)CCC3=CSC=C3

Isomeric SMILES

C1=CC2=NC(=CC(=O)N2C=C1Br)COC(=O)CCC3=CSC=C3

InChI

InChI=1S/C16H13BrN2O3S/c17-12-2-3-14-18-13(7-15(20)19(14)8-12)9-22-16(21)4-1-11-5-6-23-10-11/h2-3,5-8,10H,1,4,9H2