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

Systemtic Name: (5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 1-methylindole-3-carboxylate Openeye Name: (5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 1-methylindole-3-carboxylate CAS Name: 1-methyl-3-indolecarboxylic 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 1-methylindole-3-carboxylate Traditional Name: 1-methylindole-3-carboxylic acid (5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C17H14N3O3S+ MolecularWeight: 340.37636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)OCC3=CC(=O)[N+]4=C(N3)SC=C4

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)OCC3=CC(=O)[N+]4=C(N3)SC=C4

InChI

InChI=1S/C17H13N3O3S/c1-19-9-13(12-4-2-3-5-14(12)19)16(22)23-10-11-8-15(21)20-6-7-24-17(20)18-11/h2-9H,10H2,1H3/p+1