(4-oxidanylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl) 3-methoxy-2-methyl-4-methylsulfonyl-benzoate

Systemtic Name: (4-oxidanylidene-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl) 3-methoxy-2-methyl-4-methylsulfonyl-benzoate Openeye Name: (4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl) 3-methoxy-2-methyl-4-methylsulfonyl-benzoate CAS Name: 3-methoxy-2-methyl-4-methylsulfonylbenzoic acid (4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl) ester IUPAC Name: (4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl) 3-methoxy-2-methyl-4-methylsulfonylbenzoate Traditional Name: 4-mesyl-3-methoxy-2-methyl-benzoic acid (4-keto-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl) ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)S(=O)(=O)C)C(=O)OC2=CC(=O)N3CCCCC3=N2

Isomeric SMILES

CC1=C(C=CC(=C1OC)S(=O)(=O)C)C(=O)OC2=CC(=O)N3CCCCC3=N2

InChI

InChI=1S/C18H20N2O6S/c1-11-12(7-8-13(17(11)25-2)27(3,23)24)18(22)26-15-10-16(21)20-9-5-4-6-14(20)19-15/h7-8,10H,4-6,9H2,1-3H3