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

Systemtic Name: methyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-4,7-dimethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-(4-chlorophenyl)sulfonylimino-4,7-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=C2C(=C(C=C1)OC)SC(=NS(=O)(=O)C3=CC=C(C=C3)Cl)N2CC(=O)OC

Isomeric SMILES

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

InChI

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