ethyl 2-[(2Z)-4,7-dimethoxy-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[(2Z)-4,7-dimethoxy-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-4,7-dimethoxy-2-(p-tolylsulfonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-4,7-dimethoxy-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-4,7-dimethoxy-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-4,7-dimethoxy-2-tosylimino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S2/c1-5-28-17(23)12-22-18-15(26-3)10-11-16(27-4)19(18)29-20(22)21-30(24,25)14-8-6-13(2)7-9-14/h6-11H,5,12H2,1-4H3/b21-20-