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

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: (7-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 (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 (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid (4-keto-7-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=CN2C(=NC(=CC2=O)COC(=O)C=CC3=CC=C(C=C3)SC)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)/C=C/C3=CC=C(C=C3)SC)C=C1

InChI

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