ethyl (2E)-2-(2-methyl-2H-1,3-benzothiazol-3-ium-3-ylidene)-3-oxidanylidene-3-phenyl-propanoate

Systemtic Name: ethyl (2E)-2-(2-methyl-2H-1,3-benzothiazol-3-ium-3-ylidene)-3-oxidanylidene-3-phenyl-propanoate Openeye Name: ethyl (2E)-2-(2-methyl-2H-1,3-benzothiazol-3-ium-3-ylidene)-3-oxo-3-phenyl-propanoate CAS Name: (2E)-2-(2-methyl-2H-1,3-benzothiazol-3-ium-3-ylidene)-3-oxo-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-(2-methyl-2H-1,3-benzothiazol-3-ium-3-ylidene)-3-oxo-3-phenylpropanoate Traditional Name: (2E)-3-keto-2-(2-methyl-2H-1,3-benzothiazol-3-ium-3-ylidene)-3-phenyl-propionic acid ethyl ester Formula: C19H18NO3S+ MolecularWeight: 340.41612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=[N+]1C(SC2=CC=CC=C21)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C(=[N+]\1/C(SC2=CC=CC=C21)C)/C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18NO3S/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/h4-13H,3H2,1-2H3/q+1/b20-17-