[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl] 3-(5-cyano-1-benzothiophen-2-yl)propanoate

Systemtic Name: [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl] 3-(5-cyano-1-benzothiophen-2-yl)propanoate Openeye Name: [4-[2-(tert-butoxycarbonylamino)ethoxy]phenyl] 3-(5-cyanobenzothiophen-2-yl)propanoate CAS Name: 3-(5-cyano-1-benzothiophen-2-yl)propanoic acid [4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethoxy]phenyl] ester IUPAC Name: [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl] 3-(5-cyano-1-benzothiophen-2-yl)propanoate Traditional Name: 3-(5-cyanobenzothiophen-2-yl)propionic acid [4-[2-(tert-butoxycarbonylamino)ethoxy]phenyl] ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCOC1=CC=C(C=C1)OC(=O)CCC2=CC3=C(S2)C=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NCCOC1=CC=C(C=C1)OC(=O)CCC2=CC3=C(S2)C=CC(=C3)C#N

InChI

InChI=1S/C25H26N2O5S/c1-25(2,3)32-24(29)27-12-13-30-19-5-7-20(8-6-19)31-23(28)11-9-21-15-18-14-17(16-26)4-10-22(18)33-21/h4-8,10,14-15H,9,11-13H2,1-3H3,(H,27,29)