S-(1H-indol-3-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanethioate

Systemtic Name: S-(1H-indol-3-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanethioate Openeye Name: S-(1H-indol-3-yl) (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanethioate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanethioic acid S-(1H-indol-3-yl) ester IUPAC Name: S-(1H-indol-3-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanethioate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanethioic acid S-(1H-indol-3-yl) ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)SC2=CNC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)SC2=CNC3=CC=CC=C32

InChI

InChI=1S/C22H24N2O3S/c1-22(2,3)27-21(26)24-18(13-15-9-5-4-6-10-15)20(25)28-19-14-23-17-12-8-7-11-16(17)19/h4-12,14,18,23H,13H2,1-3H3,(H,24,26)/t18-/m0/s1