ethyl (2R)-3-(4-fluorophenyl)carbonylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: ethyl (2R)-3-(4-fluorophenyl)carbonylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: ethyl (2R)-2-(tert-butoxycarbonylamino)-3-(4-fluorobenzoyl)sulfanyl-propanoate CAS Name: (2R)-3-[[(4-fluorophenyl)-oxomethyl]thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-3-(4-fluorobenzoyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-3-[(4-fluorobenzoyl)thio]propionic acid ethyl ester Formula: C17H22FNO5S MolecularWeight: 371.423683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC(=O)C1=CC=C(C=C1)F)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)[C@H](CSC(=O)C1=CC=C(C=C1)F)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H22FNO5S/c1-5-23-14(20)13(19-16(22)24-17(2,3)4)10-25-15(21)11-6-8-12(18)9-7-11/h6-9,13H,5,10H2,1-4H3,(H,19,22)/t13-/m0/s1