cyanomethyl (2R)-2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: cyanomethyl (2R)-2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: cyanomethyl (2R)-2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2R)-2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(4-tert-butylbenzoyl)amino]-4-(methylthio)butyric acid cyanomethyl ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)OCC#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N[C@H](CCSC)C(=O)OCC#N

InChI

InChI=1S/C18H24N2O3S/c1-18(2,3)14-7-5-13(6-8-14)16(21)20-15(9-12-24-4)17(22)23-11-10-19/h5-8,15H,9,11-12H2,1-4H3,(H,20,21)/t15-/m1/s1