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

Systemtic Name: ethyl 2-[6-butyl-2-[3-(phenylmethyl)sulfonylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(3-benzylsulfonylpropanoylimino)-6-butyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-butyl-2-[1-oxo-3-(phenylmethyl)sulfonylpropyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-benzylsulfonylpropanoylimino)-6-butyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-benzylsulfonylpropanoylimino)-6-butyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C25H30N2O5S2 MolecularWeight: 502.6461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O5S2/c1-3-5-9-19-12-13-21-22(16-19)33-25(27(21)17-24(29)32-4-2)26-23(28)14-15-34(30,31)18-20-10-7-6-8-11-20/h6-8,10-13,16H,3-5,9,14-15,17-18H2,1-2H3