[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylphenoxy)propanoate

Systemtic Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylphenoxy)propanoate Openeye Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxo-ethyl] 2-(4-methylphenoxy)propanoate CAS Name: 2-(4-methylphenoxy)propanoic 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-(4-methylphenoxy)propanoate Traditional Name: 2-(4-methylphenoxy)propionic acid [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)C(C)OC3=CC=C(C=C3)C

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)C(C)OC3=CC=C(C=C3)C

InChI

InChI=1S/C21H22N2O4S/c1-4-23(21-22-17-7-5-6-8-18(17)28-21)19(24)13-26-20(25)15(3)27-16-11-9-14(2)10-12-16/h5-12,15H,4,13H2,1-3H3