(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-(4-methylphenyl)-2-thiophenecarboxylic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-(p-tolyl)thiophene-2-carboxylic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)OCC3=CC(=O)N4C=CC=C(C4=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)OCC3=CC(=O)N4C=CC=C(C4=N3)C

InChI

InChI=1S/C22H18N2O3S/c1-14-5-7-16(8-6-14)18-9-11-28-20(18)22(26)27-13-17-12-19(25)24-10-3-4-15(2)21(24)23-17/h3-12H,13H2,1-2H3