(4-cyanophenyl)methyl 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (4-cyanophenyl)methyl 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (4-cyanophenyl)methyl 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-4-(methylthio)butyric acid (4-cyanobenzyl) ester Formula: C24H28N2O3S MolecularWeight: 424.55572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)OCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)OCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C24H28N2O3S/c1-24(2,3)20-11-9-19(10-12-20)22(27)26-21(13-14-30-4)23(28)29-16-18-7-5-17(15-25)6-8-18/h5-12,21H,13-14,16H2,1-4H3,(H,26,27)