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

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic 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-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C19H13FN2O3S MolecularWeight: 368.381523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3=CC4=C(S3)C=CC(=C4)F

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C3=CC4=C(S3)C=CC(=C4)F

InChI

InChI=1S/C19H13FN2O3S/c1-11-3-2-6-22-17(23)9-14(21-18(11)22)10-25-19(24)16-8-12-7-13(20)4-5-15(12)26-16/h2-9H,10H2,1H3