ethyl 2-[(2-ethyl-5-phenyl-1,2-thiazol-2-ium-3-yl)sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[(2-ethyl-5-phenyl-1,2-thiazol-2-ium-3-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-(2-ethyl-5-phenyl-isothiazol-2-ium-3-yl)sulfanyl-3-oxo-butanoate CAS Name: 2-[(2-ethyl-5-phenyl-3-isothiazol-2-iumyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-ethyl-5-phenyl-1,2-thiazol-2-ium-3-yl)sulfanyl]-3-oxobutanoate Traditional Name: 2-[(2-ethyl-5-phenyl-isothiazol-2-ium-3-yl)thio]-3-keto-butyric acid ethyl ester Formula: C17H20NO3S2+ MolecularWeight: 350.4756

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=C(S1)C2=CC=CC=C2)SC(C(=O)C)C(=O)OCC

Isomeric SMILES

CC[N+]1=C(C=C(S1)C2=CC=CC=C2)SC(C(=O)C)C(=O)OCC

InChI

InChI=1S/C17H20NO3S2/c1-4-18-15(22-16(12(3)19)17(20)21-5-2)11-14(23-18)13-9-7-6-8-10-13/h6-11,16H,4-5H2,1-3H3/q+1