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

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-(4-chlorophenyl)thiophene-2-carboxylate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-(4-chlorophenyl)thiophene-2-carboxylate CAS Name: 5-(4-chlorophenyl)-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 5-(4-chlorophenyl)thiophene-2-carboxylate Traditional Name: 5-(4-chlorophenyl)thiophene-2-carboxylic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H15ClN2O3S MolecularWeight: 410.8734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3=CC=C(S3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3=CC=C(S3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H15ClN2O3S/c1-13-3-2-10-24-19(25)11-16(23-20(13)24)12-27-21(26)18-9-8-17(28-18)14-4-6-15(22)7-5-14/h2-11H,12H2,1H3