ethyl 2-[6-butyl-2-(4-ethylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-butyl-2-(4-ethylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-butyl-2-(4-ethylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-butyl-2-[(4-ethylsulfonylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-butyl-2-(4-ethylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-butyl-2-(4-esylbenzoyl)imino-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)C3=CC=C(C=C3)S(=O)(=O)CC)S2)CC(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O5S2/c1-4-7-8-17-9-14-20-21(15-17)32-24(26(20)16-22(27)31-5-2)25-23(28)18-10-12-19(13-11-18)33(29,30)6-3/h9-15H,4-8,16H2,1-3H3