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

Systemtic Name: ethyl 2-[6-ethyl-2-[3-(phenylmethyl)sulfonylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(3-benzylsulfonylpropanoylimino)-6-ethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethyl-2-[1-oxo-3-(phenylmethyl)sulfonylpropyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-benzylsulfonylpropanoylimino)-6-ethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-benzylsulfonylpropanoylimino)-6-ethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C23H26N2O5S2 MolecularWeight: 474.59294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CC(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CC(=O)OCC

InChI

InChI=1S/C23H26N2O5S2/c1-3-17-10-11-19-20(14-17)31-23(25(19)15-22(27)30-4-2)24-21(26)12-13-32(28,29)16-18-8-6-5-7-9-18/h5-11,14H,3-4,12-13,15-16H2,1-2H3