tert-butyl (2S,4S)-2-(phenylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,4S)-2-(phenylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,4S)-2-(phenylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[anilino(oxo)methyl]-4-mercapto-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4S)-2-(phenylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-mercapto-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)NC2=CC=CC=C2)S

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)NC2=CC=CC=C2)S

InChI

InChI=1S/C16H22N2O3S/c1-16(2,3)21-15(20)18-10-12(22)9-13(18)14(19)17-11-7-5-4-6-8-11/h4-8,12-13,22H,9-10H2,1-3H3,(H,17,19)/t12-,13-/m0/s1