ethyl 2-[4,6-dimethyl-2-(2-phenoxyethanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4,6-dimethyl-2-(2-phenoxyethanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4,6-dimethyl-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4,6-dimethyl-2-(1-oxo-2-phenoxyethyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4,6-dimethyl-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4,6-dimethyl-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2SC1=NC(=O)COC3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2SC1=NC(=O)COC3=CC=CC=C3)C)C

InChI

InChI=1S/C21H22N2O4S/c1-4-26-19(25)12-23-20-15(3)10-14(2)11-17(20)28-21(23)22-18(24)13-27-16-8-6-5-7-9-16/h5-11H,4,12-13H2,1-3H3