[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H22ClN3O5S MolecularWeight: 427.90238

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC(=O)NCC=C)NC(=O)C1=CC=CC=C1Cl

Isomeric SMILES

CSCCC(C(=O)OCC(=O)NC(=O)NCC=C)NC(=O)C1=CC=CC=C1Cl

InChI

InChI=1S/C18H22ClN3O5S/c1-3-9-20-18(26)22-15(23)11-27-17(25)14(8-10-28-2)21-16(24)12-6-4-5-7-13(12)19/h3-7,14H,1,8-11H2,2H3,(H,21,24)(H2,20,22,23,26)