methyl 3-[6-chloranyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[6-chloranyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-chloro-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-chloro-2-(1-oxo-3-phenylpropyl)imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-chloro-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(6-chloro-2-hydrocinnamoylimino-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)Cl)SC1=NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C20H19ClN2O3S/c1-26-19(25)11-12-23-16-9-8-15(21)13-17(16)27-20(23)22-18(24)10-7-14-5-3-2-4-6-14/h2-6,8-9,13H,7,10-12H2,1H3