S-phenethyl 2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanethioate

Systemtic Name: S-phenethyl 2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanethioate Openeye Name: S-phenethyl 2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanethioate CAS Name: 2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methylpropanethioic acid S-phenethyl ester IUPAC Name: S-phenethyl 2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanethioate Traditional Name: 2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanethioic acid S-phenethyl ester Formula: C31H36N2O3S MolecularWeight: 516.69414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)SCCC3=CC=CC=C3)NC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC(CC1=CNC2=CC=CC=C21)(C(=O)SCCC3=CC=CC=C3)NC(=O)OC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C31H36N2O3S/c1-31(18-25-19-32-27-10-6-5-9-26(25)27,29(34)37-12-11-20-7-3-2-4-8-20)33-30(35)36-28-23-14-21-13-22(16-23)17-24(28)15-21/h2-10,19,21-24,28,32H,11-18H2,1H3,(H,33,35)