methyl (2S)-3-(4-chlorophenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl (2S)-3-(4-chlorophenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)sulfanyl-propanoate CAS Name: (2S)-3-[(4-chlorophenyl)thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-chlorophenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[(4-chlorophenyl)thio]propionic acid methyl ester Formula: C15H20ClNO4S MolecularWeight: 345.8416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC1=CC=C(C=C1)Cl)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CSC1=CC=C(C=C1)Cl)C(=O)OC

InChI

InChI=1S/C15H20ClNO4S/c1-15(2,3)21-14(19)17-12(13(18)20-4)9-22-11-7-5-10(16)6-8-11/h5-8,12H,9H2,1-4H3,(H,17,19)/t12-/m1/s1