methyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H17ClN2O6S2 MolecularWeight: 456.92038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O6S2/c1-25-14-8-13-16(9-15(14)26-2)28-18(21(13)10-17(22)27-3)20-29(23,24)12-6-4-11(19)5-7-12/h4-9H,10H2,1-3H3/b20-18-