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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1C=C(C(=O)C2=C1SN=C2C3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC[NH+]1C=C(C(=O)C2=C1SN=C2C3=CC=C(C=C3)OC)C(=O)O

InChI

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