methyl 2-[5,6-dimethyl-2-[2-(phenylmethyl)sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5,6-dimethyl-2-[2-(phenylmethyl)sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2-benzylsulfonylacetyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,6-dimethyl-2-[1-oxo-2-(phenylmethyl)sulfonylethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-benzylsulfonylacetyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2-benzylsulfonylacetyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)N2CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)N2CC(=O)OC

InChI

InChI=1S/C21H22N2O5S2/c1-14-9-17-18(10-15(14)2)29-21(23(17)11-20(25)28-3)22-19(24)13-30(26,27)12-16-7-5-4-6-8-16/h4-10H,11-13H2,1-3H3