ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(phenylcarbonylcarbamothioylamino)phenyl]propanoate

Systemtic Name: ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(phenylcarbonylcarbamothioylamino)phenyl]propanoate Openeye Name: ethyl 3-[2-(benzoylcarbamothioylamino)phenyl]-2-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[2-[[benzamido(sulfanylidene)methyl]amino]phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(benzoylcarbamothioylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-[2-(benzoylthiocarbamoylamino)phenyl]-2-(tert-butoxycarbonylamino)propionic acid ethyl ester Formula: C24H29N3O5S MolecularWeight: 471.56916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1NC(=S)NC(=O)C2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1NC(=S)NC(=O)C2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H29N3O5S/c1-5-31-21(29)19(26-23(30)32-24(2,3)4)15-17-13-9-10-14-18(17)25-22(33)27-20(28)16-11-7-6-8-12-16/h6-14,19H,5,15H2,1-4H3,(H,26,30)(H2,25,27,28,33)