(E)-1-ethoxy-2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)-3-oxidanylidene-3-phenyl-prop-1-en-1-olate

Systemtic Name: (E)-1-ethoxy-2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)-3-oxidanylidene-3-phenyl-prop-1-en-1-olate Openeye Name: (E)-1-ethoxy-2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)-3-oxo-3-phenyl-prop-1-en-1-olate CAS Name: (E)-1-ethoxy-2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)-3-oxo-3-phenyl-1-propen-1-olate IUPAC Name: (E)-1-ethoxy-2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)-3-oxo-3-phenylprop-1-en-1-olate Traditional Name: (E)-1-ethoxy-3-keto-2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)-3-phenyl-prop-1-en-1-olate Formula: C19H17NO3S MolecularWeight: 339.40818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C1=CC=CC=C1)[N+]2=C(SC3=CC=CC=C32)C)[O-]

Isomeric SMILES

CCO/C(=C(\C(=O)C1=CC=CC=C1)/[N+]2=C(SC3=CC=CC=C32)C)/[O-]

InChI

InChI=1S/C19H17NO3S/c1-3-23-19(22)17(18(21)14-9-5-4-6-10-14)20-13(2)24-16-12-8-7-11-15(16)20/h4-12H,3H2,1-2H3