(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C25H32ClNO3S MolecularWeight: 462.04448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)Cl)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)Cl)C)C(C)(C)C

InChI

InChI=1S/C25H32ClNO3S/c1-16-13-19(25(3,4)5)14-17(2)21(16)15-30-24(29)22(11-12-31-6)27-23(28)18-7-9-20(26)10-8-18/h7-10,13-14,22H,11-12,15H2,1-6H3,(H,27,28)