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

Systemtic Name: methyl 3-[6-ethyl-2-(2-phenoxyethanoylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-ethyl-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-ethyl-2-(1-oxo-2-phenoxyethyl)imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-ethyl-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-ethyl-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)COC3=CC=CC=C3)S2)CCC(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)COC3=CC=CC=C3)S2)CCC(=O)OC

InChI

InChI=1S/C21H22N2O4S/c1-3-15-9-10-17-18(13-15)28-21(23(17)12-11-20(25)26-2)22-19(24)14-27-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3