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

Systemtic Name: ethyl 2-[5,6-dimethoxy-2-(3-methylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H22N2O7S2 MolecularWeight: 478.53858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=C(C=C2SC1=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)OC)OC

Isomeric SMILES

CCOC(=O)CN1C2=CC(=C(C=C2SC1=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)OC)OC

InChI

InChI=1S/C21H22N2O7S2/c1-5-30-19(24)12-23-15-10-16(28-2)17(29-3)11-18(15)31-21(23)22-20(25)13-7-6-8-14(9-13)32(4,26)27/h6-11H,5,12H2,1-4H3