methyl 2-[4-methoxy-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[4-methoxy-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[4-methoxy-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-methoxy-2-[1-oxo-3-(phenylthio)propyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-methoxy-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-methoxy-2-[3-(phenylthio)propanoylimino]-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=NC(=O)CCSC3=CC=CC=C3)N2CC(=O)OC

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=NC(=O)CCSC3=CC=CC=C3)N2CC(=O)OC

InChI

InChI=1S/C20H20N2O4S2/c1-25-15-9-6-10-16-19(15)22(13-18(24)26-2)20(28-16)21-17(23)11-12-27-14-7-4-3-5-8-14/h3-10H,11-13H2,1-2H3