(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: (9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1,3-benzothiazole-6-carboxylate Openeye Name: (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid (4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C18H14N3O3S+ MolecularWeight: 352.38706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)COC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)COC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C18H13N3O3S/c1-11-3-2-6-21-16(22)8-13(20-17(11)21)9-24-18(23)12-4-5-14-15(7-12)25-10-19-14/h2-8,10H,9H2,1H3/p+1