methyl (4S)-4-[2-(1H-indol-3-yl)ethylcarbamothioyl]-1,3-thiazolidine-3-carboxylate

Systemtic Name: methyl (4S)-4-[2-(1H-indol-3-yl)ethylcarbamothioyl]-1,3-thiazolidine-3-carboxylate Openeye Name: methyl (4S)-4-[2-(1H-indol-3-yl)ethylcarbamothioyl]thiazolidine-3-carboxylate CAS Name: (4S)-4-[[2-(1H-indol-3-yl)ethylamino]-sulfanylidenemethyl]-3-thiazolidinecarboxylic acid methyl ester IUPAC Name: methyl (4S)-4-[2-(1H-indol-3-yl)ethylcarbamothioyl]-1,3-thiazolidine-3-carboxylate Traditional Name: (4S)-4-[2-(1H-indol-3-yl)ethylthiocarbamoyl]thiazolidine-3-carboxylic acid methyl ester Formula: C16H19N3O2S2 MolecularWeight: 349.47096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CSCC1C(=S)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

COC(=O)N1CSC[C@H]1C(=S)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C16H19N3O2S2/c1-21-16(20)19-10-23-9-14(19)15(22)17-7-6-11-8-18-13-5-3-2-4-12(11)13/h2-5,8,14,18H,6-7,9-10H2,1H3,(H,17,22)/t14-/m0/s1