[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate

Systemtic Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCCC1=CNC2=CC=CC=C21)SC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NCCC1=CNC2=CC=CC=C21)SC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-15(27-17-7-3-2-4-8-17)21(25)26-14-20(24)22-12-11-16-13-23-19-10-6-5-9-18(16)19/h2-10,13,15,23H,11-12,14H2,1H3,(H,22,24)/t15-/m1/s1