ethyl 2-[(2Z)-5,6-dimethyl-2-(phenylsulfonylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[(2Z)-5,6-dimethyl-2-(phenylsulfonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-2-(benzenesulfonylimino)-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(benzenesulfonylimino)-5,6-dimethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-2-(benzenesulfonylimino)-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-besylimino-5,6-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=C(C=C(C(=C2)C)C)SC1=NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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