methyl 2-[(2Z)-4,7-dimethoxy-2-(phenylsulfonylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(2Z)-4,7-dimethoxy-2-(phenylsulfonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-2-(benzenesulfonylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(benzenesulfonylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-2-(benzenesulfonylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-besylimino-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H18N2O6S2 MolecularWeight: 422.47532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NS(=O)(=O)C3=CC=CC=C3)N2CC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)S/C(=N\S(=O)(=O)C3=CC=CC=C3)/N2CC(=O)OC

InChI

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