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

Systemtic Name: methyl 2-[(2Z)-5,6-dimethoxy-2-(phenylsulfonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-2-(benzenesulfonylimino)-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(benzenesulfonylimino)-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-2-(benzenesulfonylimino)-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-besylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H18N2O6S2 MolecularWeight: 422.47532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NS(=O)(=O)C3=CC=CC=C3)S2)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(/C(=N/S(=O)(=O)C3=CC=CC=C3)/S2)CC(=O)OC)OC

InChI

InChI=1S/C18H18N2O6S2/c1-24-14-9-13-16(10-15(14)25-2)27-18(20(13)11-17(21)26-3)19-28(22,23)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3/b19-18-