(8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-phenylsulfanylpropanoate

Systemtic Name: (8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-phenylsulfanylpropanoate Openeye Name: (8-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid (8-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid (4-keto-8-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=CC(=O)N2C=C1)COC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=NC(=CC(=O)N2C=C1)COC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O3S/c1-14-7-9-21-17(11-14)20-15(12-18(21)22)13-24-19(23)8-10-25-16-5-3-2-4-6-16/h2-7,9,11-12H,8,10,13H2,1H3