methyl 3-[(2-methylpropan-2-yl)oxy]-2-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)propanoate

Systemtic Name: methyl 3-[(2-methylpropan-2-yl)oxy]-2-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)propanoate Openeye Name: methyl 3-tert-butoxy-2-(1,1,3,3-tetramethylbutylcarbamothioylamino)propanoate CAS Name: 3-[(2-methylpropan-2-yl)oxy]-2-[[sulfanylidene-(2,4,4-trimethylpentan-2-ylamino)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(2-methylpropan-2-yl)oxy]-2-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)propanoate Traditional Name: 3-tert-butoxy-2-(1,1,3,3-tetramethylbutylthiocarbamoylamino)propionic acid methyl ester Formula: C17H34N2O3S MolecularWeight: 346.52846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=S)NC(COC(C)(C)C)C(=O)OC

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=S)NC(COC(C)(C)C)C(=O)OC

InChI

InChI=1S/C17H34N2O3S/c1-15(2,3)11-17(7,8)19-14(23)18-12(13(20)21-9)10-22-16(4,5)6/h12H,10-11H2,1-9H3,(H2,18,19,23)