(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic 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 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C19H12ClFN2O3S MolecularWeight: 402.826583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12ClFN2O3S/c1-10-2-5-15-22-12(7-16(24)23(15)8-10)9-26-19(25)18-17(20)13-4-3-11(21)6-14(13)27-18/h2-8H,9H2,1H3