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

Systemtic Name: methyl 2-[5,6-dimethoxy-2-(3-methylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[5,6-dimethoxy-2-(3-methylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,6-dimethoxy-2-[(3-methylsulfonylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5,6-dimethoxy-2-(3-methylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-mesylbenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H20N2O7S2 MolecularWeight: 464.512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O7S2/c1-27-15-9-14-17(10-16(15)28-2)30-20(22(14)11-18(23)29-3)21-19(24)12-6-5-7-13(8-12)31(4,25)26/h5-10H,11H2,1-4H3