[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate

Systemtic Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate Openeye Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxo-ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-keto-ethyl] ester Formula: C20H20N2O5S2 MolecularWeight: 432.5132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3=CC=CC=C3S(=O)(=O)CC

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3=CC=CC=C3S(=O)(=O)CC

InChI

InChI=1S/C20H20N2O5S2/c1-3-22(20-21-15-10-6-7-11-16(15)28-20)18(23)13-27-19(24)14-9-5-8-12-17(14)29(25,26)4-2/h5-12H,3-4,13H2,1-2H3