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

Systemtic Name: ethyl 3-[6-ethoxy-2-(2-phenylethanoylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[6-ethoxy-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-ethoxy-2-(1-oxo-2-phenylethyl)imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-ethoxy-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-ethoxy-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-3-27-17-10-11-18-19(15-17)29-22(24(18)13-12-21(26)28-4-2)23-20(25)14-16-8-6-5-7-9-16/h5-11,15H,3-4,12-14H2,1-2H3