S-methyl 3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]-2-phenyl-propanethioate

Systemtic Name: S-methyl 3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]-2-phenyl-propanethioate Openeye Name: S-methyl 3-[4-[2-(tert-butoxycarbonylamino)ethoxy]phenyl]-2-phenyl-propanethioate CAS Name: 3-[4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethoxy]phenyl]-2-phenylpropanethioic acid S-methyl ester IUPAC Name: S-methyl 3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]-2-phenylpropanethioate Traditional Name: 3-[4-[2-(tert-butoxycarbonylamino)ethoxy]phenyl]-2-phenyl-propanethioic acid S-methyl ester Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCOC1=CC=C(C=C1)CC(C2=CC=CC=C2)C(=O)SC

Isomeric SMILES

CC(C)(C)OC(=O)NCCOC1=CC=C(C=C1)CC(C2=CC=CC=C2)C(=O)SC

InChI

InChI=1S/C23H29NO4S/c1-23(2,3)28-22(26)24-14-15-27-19-12-10-17(11-13-19)16-20(21(25)29-4)18-8-6-5-7-9-18/h5-13,20H,14-16H2,1-4H3,(H,24,26)