methyl 2-[5,6-dimethyl-2-[4-(phenylsulfonyl)butanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5,6-dimethyl-2-[4-(phenylsulfonyl)butanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-(benzenesulfonyl)butanoylimino]-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-(benzenesulfonyl)-1-oxobutyl]imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(benzenesulfonyl)butanoylimino]-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-besylbutanoylimino)-5,6-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)N2CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)N2CC(=O)OC

InChI

InChI=1S/C22H24N2O5S2/c1-15-12-18-19(13-16(15)2)30-22(24(18)14-21(26)29-3)23-20(25)10-7-11-31(27,28)17-8-5-4-6-9-17/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3