2-(3,5-dimethylphenoxy)ethyl 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-4-(methylthio)butyric acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C22H26ClNO4S MolecularWeight: 435.96414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl)C

InChI

InChI=1S/C22H26ClNO4S/c1-15-12-16(2)14-17(13-15)27-9-10-28-22(26)20(8-11-29-3)24-21(25)18-6-4-5-7-19(18)23/h4-7,12-14,20H,8-11H2,1-3H3,(H,24,25)