[1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H28ClN3O5S MolecularWeight: 457.97142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)C(CCSC)NC(=O)C1=CC=CC=C1Cl

Isomeric SMILES

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)C(CCSC)NC(=O)C1=CC=CC=C1Cl

InChI

InChI=1S/C20H28ClN3O5S/c1-12(16(25)23-19(28)24-20(2,3)4)29-18(27)15(10-11-30-5)22-17(26)13-8-6-7-9-14(13)21/h6-9,12,15H,10-11H2,1-5H3,(H,22,26)(H2,23,24,25,28)