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

Systemtic Name: ethyl 3-[6-ethoxy-2-(phenylcarbonylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-(2-benzoylimino-6-ethoxy-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-(2-benzoylimino-6-ethoxy-1,3-benzothiazol-3-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(2-benzoylimino-6-ethoxy-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-benzoylimino-6-ethoxy-1,3-benzothiazol-3-yl)propionic 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)C3=CC=CC=C3)S2)CCC(=O)OCC

Isomeric SMILES

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

InChI

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