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

Systemtic Name: ethyl 2-[6-ethoxy-2-(2-phenoxyethanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethoxy-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-(1-oxo-2-phenoxyethyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethoxy-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)COC3=CC=CC=C3)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)COC3=CC=CC=C3)S2)CC(=O)OCC

InChI

InChI=1S/C21H22N2O5S/c1-3-26-16-10-11-17-18(12-16)29-21(23(17)13-20(25)27-4-2)22-19(24)14-28-15-8-6-5-7-9-15/h5-12H,3-4,13-14H2,1-2H3