ethyl 2-[6-butyl-2-[2-(phenylmethyl)sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-butyl-2-[2-(phenylmethyl)sulfonylethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(2-benzylsulfonylacetyl)imino-6-butyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-butyl-2-[1-oxo-2-(phenylmethyl)sulfonylethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-benzylsulfonylacetyl)imino-6-butyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2-benzylsulfonylacetyl)imino-6-butyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C24H28N2O5S2 MolecularWeight: 488.61952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CC(=O)OCC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC3=CC=CC=C3)S2)CC(=O)OCC

InChI

InChI=1S/C24H28N2O5S2/c1-3-5-9-18-12-13-20-21(14-18)32-24(26(20)15-23(28)31-4-2)25-22(27)17-33(29,30)16-19-10-7-6-8-11-19/h6-8,10-14H,3-5,9,15-17H2,1-2H3