ethyl 2-[5,7-dimethyl-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5,7-dimethyl-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[5,7-dimethyl-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,7-dimethyl-2-[1-oxo-4-(phenylthio)butyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5,7-dimethyl-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5,7-dimethyl-2-[4-(phenylthio)butanoylimino]-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C23H26N2O3S2 MolecularWeight: 442.59414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3S2/c1-4-28-21(27)15-25-19-14-16(2)13-17(3)22(19)30-23(25)24-20(26)11-8-12-29-18-9-6-5-7-10-18/h5-7,9-10,13-14H,4,8,11-12,15H2,1-3H3