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

Systemtic Name: (3-cyanophenyl)methyl 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (3-cyanophenyl)methyl 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-4-(methylthio)butyric acid (3-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(=C2)C#N

Isomeric SMILES

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

InChI

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