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

Systemtic Name: S-ethyl (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanethioate Openeye Name: S-ethyl (2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanethioate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanethioic acid S-ethyl ester IUPAC Name: S-ethyl (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanethioate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanethioic acid S-ethyl ester Formula: C18H24N2O3S MolecularWeight: 348.45976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OC(C)(C)C

Isomeric SMILES

CCSC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H24N2O3S/c1-5-24-16(21)15(20-17(22)23-18(2,3)4)10-12-11-19-14-9-7-6-8-13(12)14/h6-9,11,15,19H,5,10H2,1-4H3,(H,20,22)/t15-/m0/s1