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

Systemtic Name: ethyl 2-[6-ethoxy-2-(2-phenylethanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethoxy-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-(1-oxo-2-phenylethyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethoxy-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-(2-phenylacetyl)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:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=CC=C3)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=CC=C3)S2)CC(=O)OCC

InChI

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