2-[4-methyl-3-[2-oxidanylidene-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]-1,3-thiazol-3-ium-5-yl]ethanolate

Systemtic Name: 2-[4-methyl-3-[2-oxidanylidene-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]-1,3-thiazol-3-ium-5-yl]ethanolate Openeye Name: 2-[4-methyl-3-[2-oxo-2-(3-phenylisoxazol-5-yl)ethyl]thiazol-3-ium-5-yl]ethanolate CAS Name: 2-[4-methyl-3-[2-oxo-2-(3-phenyl-5-isoxazolyl)ethyl]-5-thiazol-3-iumyl]ethanolate IUPAC Name: 2-[4-methyl-3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]-1,3-thiazol-3-ium-5-yl]ethanolate Traditional Name: 2-[3-[2-keto-2-(3-phenylisoxazol-5-yl)ethyl]-4-methyl-thiazol-3-ium-5-yl]ethanolate Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C2=CC(=NO2)C3=CC=CC=C3)CC[O-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C2=CC(=NO2)C3=CC=CC=C3)CC[O-]

InChI

InChI=1S/C17H16N2O3S/c1-12-17(7-8-20)23-11-19(12)10-15(21)16-9-14(18-22-16)13-5-3-2-4-6-13/h2-6,9,11H,7-8,10H2,1H3