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

Systemtic Name: (6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-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-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (4-keto-6-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C20H18N2O3S2/c1-13-3-2-4-17-21-16(11-18(23)22(13)17)12-25-19(24)14-5-7-15(8-6-14)20-26-9-10-27-20/h2-8,11,20H,9-10,12H2,1H3