[1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-4-(methylthio)butyric acid [2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O5S/c1-7-23-21(29)25-18(26)14(2)30-20(28)17(12-13-31-6)24-19(27)15-8-10-16(11-9-15)22(3,4)5/h8-11,14,17H,7,12-13H2,1-6H3,(H,24,27)(H2,23,25,26,29)