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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)OCC2=CC=CC=C2C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)OCC2=CC=CC=C2C#N

InChI

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