tert-butyl 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3-[(2-methylpropan-2-yl)oxy]butanoate

Systemtic Name: tert-butyl 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3-[(2-methylpropan-2-yl)oxy]butanoate Openeye Name: tert-butyl 3-tert-butoxy-2-[2-(4-chlorophenyl)sulfanylpropanoylamino]butanoate CAS Name: 2-[[2-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3-[(2-methylpropan-2-yl)oxy]butanoate Traditional Name: 3-tert-butoxy-2-[2-[(4-chlorophenyl)thio]propanoylamino]butyric acid tert-butyl ester Formula: C21H32ClNO4S MolecularWeight: 430.00108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OC(C)(C)C)NC(=O)C(C)SC1=CC=C(C=C1)Cl)OC(C)(C)C

Isomeric SMILES

CC(C(C(=O)OC(C)(C)C)NC(=O)C(C)SC1=CC=C(C=C1)Cl)OC(C)(C)C

InChI

InChI=1S/C21H32ClNO4S/c1-13(26-20(3,4)5)17(19(25)27-21(6,7)8)23-18(24)14(2)28-16-11-9-15(22)10-12-16/h9-14,17H,1-8H3,(H,23,24)