[1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(m-toluoylamino)butyric acid [2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O5S/c1-5-20-19(26)22-16(23)13(3)27-18(25)15(9-10-28-4)21-17(24)14-8-6-7-12(2)11-14/h6-8,11,13,15H,5,9-10H2,1-4H3,(H,21,24)(H2,20,22,23,26)