ethyl 2-[(2Z)-6-ethyl-2-(phenylsulfonylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[(2Z)-6-ethyl-2-(phenylsulfonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-2-(benzenesulfonylimino)-6-ethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(benzenesulfonylimino)-6-ethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-2-(benzenesulfonylimino)-6-ethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-besylimino-6-ethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NS(=O)(=O)C3=CC=CC=C3)S2)CC(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(/C(=N/S(=O)(=O)C3=CC=CC=C3)/S2)CC(=O)OCC

InChI

InChI=1S/C19H20N2O4S2/c1-3-14-10-11-16-17(12-14)26-19(21(16)13-18(22)25-4-2)20-27(23,24)15-8-6-5-7-9-15/h5-12H,3-4,13H2,1-2H3/b20-19-