ethyl 2-[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-3-ium-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-3-ium-3-yl]ethanoate Openeye Name: ethyl 2-[2-(2-ethoxy-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-3-ium-3-yl]acetate CAS Name: 2-[2-[(2-ethoxy-2-oxoethyl)thio]-1,3-benzothiazol-3-ium-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanyl-1,3-benzothiazol-3-ium-3-yl]acetate Traditional Name: 2-[2-[(2-ethoxy-2-keto-ethyl)thio]-1,3-benzothiazol-3-ium-3-yl]acetic acid ethyl ester Formula: C15H18NO4S2+ MolecularWeight: 340.43772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18NO4S2/c1-3-19-13(17)9-16-11-7-5-6-8-12(11)22-15(16)21-10-14(18)20-4-2/h5-8H,3-4,9-10H2,1-2H3/q+1