[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2-sulfanylideneethanoate

Systemtic Name: [3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2-sulfanylideneethanoate Openeye Name: [2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propyl] 2-thioxoacetate CAS Name: 2-sulfanylideneacetic acid [3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl] ester IUPAC Name: [3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2-sulfanylideneacetate Traditional Name: 2-thioxoacetic acid [2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propyl] ester Formula: C18H22N2O4S MolecularWeight: 362.44328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)COC(=O)C=S

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)COC(=O)C=S

InChI

InChI=1S/C18H22N2O4S/c1-18(2,3)24-17(22)20-13(10-23-16(21)11-25)8-12-9-19-15-7-5-4-6-14(12)15/h4-7,9,11,13,19H,8,10H2,1-3H3,(H,20,22)