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

Systemtic Name: (6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (Z)-2,3-dithiophen-2-ylprop-2-enoate Openeye Name: (6-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 (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 (Z)-2,3-dithiophen-2-ylprop-2-enoate Traditional Name: (Z)-2,3-bis(2-thienyl)acrylic acid (4-keto-6-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=CC=CC2=NC(=CC(=O)N12)COC(=O)C(=CC3=CC=CS3)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)/C(=C/C3=CC=CS3)/C4=CC=CS4

InChI

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