O-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl] 2-phenylpropanethioate

Systemtic Name: O-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl] 2-phenylpropanethioate Openeye Name: O-[4-[2-(tert-butoxycarbonylamino)ethoxy]phenyl] 2-phenylpropanethioate CAS Name: 2-phenylpropanethioic acid O-[4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethoxy]phenyl] ester IUPAC Name: O-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl] 2-phenylpropanethioate Traditional Name: 2-phenylpropanethioic acid O-[4-[2-(tert-butoxycarbonylamino)ethoxy]phenyl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=S)OC2=CC=C(C=C2)OCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C1=CC=CC=C1)C(=S)OC2=CC=C(C=C2)OCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C22H27NO4S/c1-16(17-8-6-5-7-9-17)20(28)26-19-12-10-18(11-13-19)25-15-14-23-21(24)27-22(2,3)4/h5-13,16H,14-15H2,1-4H3,(H,23,24)