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

Systemtic Name: ethyl 2-[5,7-dimethyl-2-[3-(phenylsulfonyl)propanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[3-(benzenesulfonyl)propanoylimino]-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[3-(benzenesulfonyl)-1-oxopropyl]imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[3-(benzenesulfonyl)propanoylimino]-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-besylpropanoylimino)-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S2/c1-4-29-20(26)14-24-18-13-15(2)12-16(3)21(18)30-22(24)23-19(25)10-11-31(27,28)17-8-6-5-7-9-17/h5-9,12-13H,4,10-11,14H2,1-3H3