(5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 3-methyl-1-benzofuran-2-carboxylate Openeye Name: (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester IUPAC Name: (5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid (5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C17H13N2O4S+ MolecularWeight: 341.36112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC3=CC(=O)[N+]4=C(N3)SC=C4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC3=CC(=O)[N+]4=C(N3)SC=C4

InChI

InChI=1S/C17H12N2O4S/c1-10-12-4-2-3-5-13(12)23-15(10)16(21)22-9-11-8-14(20)19-6-7-24-17(19)18-11/h2-8H,9H2,1H3/p+1