O-tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-3-phenyl-propanethioate

Systemtic Name: O-tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-3-phenyl-propanethioate Openeye Name: O-tert-butyl 3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenyl-propanethioate CAS Name: 2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanethioic acid O-tert-butyl ester IUPAC Name: O-tert-butyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanethioate Traditional Name: 3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenyl-propanethioic acid O-tert-butyl ester Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=S)C(C(C1=CC=CC=C1)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C)(C)OC(=S)C(C(C1=CC=CC=C1)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C18H27NO4S/c1-17(2,3)22-15(24)14(20)13(12-10-8-7-9-11-12)19-16(21)23-18(4,5)6/h7-11,13-14,20H,1-6H3,(H,19,21)