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

Systemtic Name: ethyl 2-[2-(2,6-dimethoxyphenyl)carbonylimino-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(2,6-dimethoxybenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(2,6-dimethoxyphenyl)-oxomethyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2,6-dimethoxybenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2,6-dimethoxybenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC=C3OC)OC)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC=C3OC)OC)S2)CC(=O)OCC

InChI

InChI=1S/C22H24N2O6S/c1-5-29-14-10-11-15-18(12-14)31-22(24(15)13-19(25)30-6-2)23-21(26)20-16(27-3)8-7-9-17(20)28-4/h7-12H,5-6,13H2,1-4H3