ethyl 3-[5,6-dimethoxy-2-(phenylcarbonylimino)-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[5,6-dimethoxy-2-(phenylcarbonylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-(2-benzoylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-(2-benzoylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(2-benzoylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-benzoylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl)propionic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=CC(=C(C=C2SC1=NC(=O)C3=CC=CC=C3)OC)OC

Isomeric SMILES

CCOC(=O)CCN1C2=CC(=C(C=C2SC1=NC(=O)C3=CC=CC=C3)OC)OC

InChI

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