(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (Z)-2,3-dithiophen-2-ylprop-2-enoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (Z)-2,3-dithiophen-2-ylprop-2-enoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (Z)-2,3-bis(2-thienyl)prop-2-enoate CAS Name: (Z)-2,3-dithiophen-2-yl-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 (Z)-2,3-dithiophen-2-ylprop-2-enoate Traditional Name: (Z)-2,3-bis(2-thienyl)acrylic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H16N2O3S2 MolecularWeight: 408.49334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C(=CC3=CC=CS3)C4=CC=CS4)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)/C(=C/C3=CC=CS3)/C4=CC=CS4)C=C1

InChI

InChI=1S/C21H16N2O3S2/c1-14-6-7-19-22-15(10-20(24)23(19)12-14)13-26-21(25)17(18-5-3-9-28-18)11-16-4-2-8-27-16/h2-12H,13H2,1H3/b17-11+