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

Systemtic Name: ethyl 2-[2-(3,5-dimethoxyphenyl)carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(3,5-dimethoxybenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3,5-dimethoxyphenyl)-oxomethyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3,5-dimethoxybenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3,5-dimethoxybenzoyl)imino-6-mesyl-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=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC(=CC(=C3)OC)OC

InChI

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