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

Systemtic Name: (6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-phenylsulfanylpropanoate Openeye Name: (6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid (6-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid (4-keto-6-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=CC=CC2=NC(=CC(=O)N12)COC(=O)C(C)SC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)[C@H](C)SC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O3S/c1-13-7-6-10-17-20-15(11-18(22)21(13)17)12-24-19(23)14(2)25-16-8-4-3-5-9-16/h3-11,14H,12H2,1-2H3/t14-/m0/s1