(6-chloranylpyridin-3-yl)methyl 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (6-chloro-3-pyridyl)methyl 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 2-[(4-tert-butylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]-4-(methylthio)butyric acid (6-chloro-3-pyridyl)methyl ester Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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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=CN=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)OCC2=CN=C(C=C2)Cl

InChI

InChI=1S/C22H27ClN2O3S/c1-22(2,3)17-8-6-16(7-9-17)20(26)25-18(11-12-29-4)21(27)28-14-15-5-10-19(23)24-13-15/h5-10,13,18H,11-12,14H2,1-4H3,(H,25,26)