2-(4-cyanophenoxy)ethyl 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 2-(4-cyanophenoxy)ethyl 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: 2-(4-cyanophenoxy)ethyl 2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-4-(methylthio)butyric acid 2-(4-cyanophenoxy)ethyl ester Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCCOC1=CC=C(C=C1)C#N)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CSCCC(C(=O)OCCOC1=CC=C(C=C1)C#N)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C21H21ClN2O4S/c1-29-13-10-19(24-20(25)17-4-2-3-5-18(17)22)21(26)28-12-11-27-16-8-6-15(14-23)7-9-16/h2-9,19H,10-13H2,1H3,(H,24,25)