(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C=CC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)/C=C/C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H18N2O3S/c1-14-4-3-11-22-18(23)12-16(21-20(14)22)13-25-19(24)10-7-15-5-8-17(26-2)9-6-15/h3-12H,13H2,1-2H3/b10-7+