tert-butyl (2S)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamothioyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamothioyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamothioyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-sulfanylidenemethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamothioyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]thiocarbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C19H28N2O3S MolecularWeight: 364.50222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC)NC(=S)C2CCCN2C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)OC)NC(=S)[C@@H]2CCCN2C(=O)OC(C)(C)C

InChI

InChI=1S/C19H28N2O3S/c1-13(14-8-10-15(23-5)11-9-14)20-17(25)16-7-6-12-21(16)18(22)24-19(2,3)4/h8-11,13,16H,6-7,12H2,1-5H3,(H,20,25)/t13-,16+/m1/s1