ethyl 2-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 2-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(4-ketopyrido[1,2-a]pyrimidin-2-yl)methylthio]nicotinic acid ethyl ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)SCC2=CC(=O)N3C=CC=CC3=N2

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)SCC2=CC(=O)N3C=CC=CC3=N2

InChI

InChI=1S/C17H15N3O3S/c1-2-23-17(22)13-6-5-8-18-16(13)24-11-12-10-15(21)20-9-4-3-7-14(20)19-12/h3-10H,2,11H2,1H3