(6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: (6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(1,3-dithian-2-yl)benzoate Openeye Name: (6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic 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 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid (4-keto-6-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C21H20N2O3S2/c1-14-4-2-5-18-22-17(12-19(24)23(14)18)13-26-20(25)15-6-8-16(9-7-15)21-27-10-3-11-28-21/h2,4-9,12,21H,3,10-11,13H2,1H3