ethyl 3-(4-methoxyphenyl)-4-oxidanylidene-2H-[1,2]thiazolo[5,4-b]pyridin-7-ium-5-carboxylate

Systemtic Name: ethyl 3-(4-methoxyphenyl)-4-oxidanylidene-2H-[1,2]thiazolo[5,4-b]pyridin-7-ium-5-carboxylate Openeye Name: ethyl 3-(4-methoxyphenyl)-4-oxo-2H-isothiazolo[5,4-b]pyridin-7-ium-5-carboxylate CAS Name: 3-(4-methoxyphenyl)-4-oxo-2H-isothiazolo[5,4-b]pyridin-7-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methoxyphenyl)-4-oxo-2H-[1,2]thiazolo[5,4-b]pyridin-7-ium-5-carboxylate Traditional Name: 4-keto-3-(4-methoxyphenyl)-2H-isothiazolo[5,4-b]pyridin-7-ium-5-carboxylic acid ethyl ester Formula: C16H15N2O4S+ MolecularWeight: 331.3663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C(=C(NS2)C3=CC=C(C=C3)OC)C1=O

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=C(NS2)C3=CC=C(C=C3)OC)C1=O

InChI

InChI=1S/C16H14N2O4S/c1-3-22-16(20)11-8-17-15-12(14(11)19)13(18-23-15)9-4-6-10(21-2)7-5-9/h4-8,18H,3H2,1-2H3/p+1