(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-phenyl-2-phenylsulfanyl-ethanoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-phenyl-2-phenylsulfanyl-ethanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-phenyl-2-phenylsulfanyl-acetate CAS Name: (2S)-2-phenyl-2-(phenylthio)acetic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-phenyl-2-phenylsulfanylacetate Traditional Name: (2S)-2-phenyl-2-(phenylthio)acetic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)[C@H](C3=CC=CC=C3)SC4=CC=CC=C4)C=C1

InChI

InChI=1S/C24H20N2O3S/c1-17-12-13-21-25-19(14-22(27)26(21)15-17)16-29-24(28)23(18-8-4-2-5-9-18)30-20-10-6-3-7-11-20/h2-15,23H,16H2,1H3/t23-/m0/s1