(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-(4-fluorophenyl)thiophene-2-carboxylate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-(4-fluorophenyl)thiophene-2-carboxylate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-(4-fluorophenyl)thiophene-2-carboxylate CAS Name: 5-(4-fluorophenyl)-2-thiophenecarboxylic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(4-fluorophenyl)thiophene-2-carboxylate Traditional Name: 5-(4-fluorophenyl)thiophene-2-carboxylic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H15FN2O3S MolecularWeight: 394.418803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CC=C(S3)C4=CC=C(C=C4)F)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CC=C(S3)C4=CC=C(C=C4)F)C=C1

InChI

InChI=1S/C21H15FN2O3S/c1-13-2-9-19-23-16(10-20(25)24(19)11-13)12-27-21(26)18-8-7-17(28-18)14-3-5-15(22)6-4-14/h2-11H,12H2,1H3