methyl 3-[2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[1-oxo-3-(phenylthio)propyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[3-(phenylthio)propanoylimino]-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S2/c1-25-19(24)11-13-22-16-9-5-6-10-17(16)27-20(22)21-18(23)12-14-26-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3