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

Systemtic Name: methyl 3-[6-ethyl-2-(phenylcarbonylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-(2-benzoylimino-6-ethyl-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-(2-benzoylimino-6-ethyl-1,3-benzothiazol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(2-benzoylimino-6-ethyl-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-benzoylimino-6-ethyl-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-3-14-9-10-16-17(13-14)26-20(22(16)12-11-18(23)25-2)21-19(24)15-7-5-4-6-8-15/h4-10,13H,3,11-12H2,1-2H3