methyl 3-[6-methoxy-2-(2-phenoxyethanoylimino)-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[6-methoxy-2-(2-phenoxyethanoylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-methoxy-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-methoxy-2-(1-oxo-2-phenoxyethyl)imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-methoxy-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-methoxy-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)COC3=CC=CC=C3)S2)CCC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)COC3=CC=CC=C3)S2)CCC(=O)OC

InChI

InChI=1S/C20H20N2O5S/c1-25-15-8-9-16-17(12-15)28-20(22(16)11-10-19(24)26-2)21-18(23)13-27-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3