ethyl 2-[(2Z)-5,7-dimethyl-2-(phenylsulfonylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[(2Z)-5,7-dimethyl-2-(phenylsulfonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-2-(benzenesulfonylimino)-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(benzenesulfonylimino)-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-2-(benzenesulfonylimino)-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-besylimino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=CC(=C2SC1=NS(=O)(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)CN\1C2=CC(=CC(=C2S/C1=N\S(=O)(=O)C3=CC=CC=C3)C)C

InChI

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