ethyl (2Z)-3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(phenylsulfonylimino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl (2Z)-3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(phenylsulfonylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl (2Z)-2-(benzenesulfonylimino)-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-2-(benzenesulfonylimino)-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-2-(benzenesulfonylimino)-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-2-besylimino-3-(2-ethoxy-2-keto-ethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN\1C2=C(C=C(C=C2)C(=O)OCC)S/C1=N\S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O6S2/c1-3-27-18(23)13-22-16-11-10-14(19(24)28-4-2)12-17(16)29-20(22)21-30(25,26)15-8-6-5-7-9-15/h5-12H,3-4,13H2,1-2H3/b21-20-