ethyl 2-[5,6-dimethoxy-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5,6-dimethoxy-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[5,6-dimethoxy-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,6-dimethoxy-2-[1-oxo-4-(phenylthio)butyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5,6-dimethoxy-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5,6-dimethoxy-2-[4-(phenylthio)butanoylimino]-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C23H26N2O5S2 MolecularWeight: 474.59294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=C(C=C2SC1=NC(=O)CCCSC3=CC=CC=C3)OC)OC

Isomeric SMILES

CCOC(=O)CN1C2=CC(=C(C=C2SC1=NC(=O)CCCSC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C23H26N2O5S2/c1-4-30-22(27)15-25-17-13-18(28-2)19(29-3)14-20(17)32-23(25)24-21(26)11-8-12-31-16-9-6-5-7-10-16/h5-7,9-10,13-14H,4,8,11-12,15H2,1-3H3