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

Systemtic Name: ethyl 2-[5,6-dimethoxy-2-(2-methoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[5,6-dimethoxy-2-(2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,6-dimethoxy-2-[(2-methoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5,6-dimethoxy-2-(2-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(5,6-dimethoxy-2-o-anisoylimino-1,3-benzothiazol-3-yl)acetic acid ethyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=C(C=C2SC1=NC(=O)C3=CC=CC=C3OC)OC)OC

Isomeric SMILES

CCOC(=O)CN1C2=CC(=C(C=C2SC1=NC(=O)C3=CC=CC=C3OC)OC)OC

InChI

InChI=1S/C21H22N2O6S/c1-5-29-19(24)12-23-14-10-16(27-3)17(28-4)11-18(14)30-21(23)22-20(25)13-8-6-7-9-15(13)26-2/h6-11H,5,12H2,1-4H3