methyl (2S,3S,4S,5S)-4-(2-methylpropanoyl)-3-(phenylsulfonyl)-5-thiophen-2-yl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,3S,4S,5S)-4-(2-methylpropanoyl)-3-(phenylsulfonyl)-5-thiophen-2-yl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,3S,4S,5S)-3-(benzenesulfonyl)-4-(2-methylpropanoyl)-5-(2-thienyl)pyrrolidine-2-carboxylate CAS Name: (2S,3S,4S,5S)-3-(benzenesulfonyl)-4-(2-methyl-1-oxopropyl)-5-thiophen-2-yl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4S,5S)-3-(benzenesulfonyl)-4-(2-methylpropanoyl)-5-thiophen-2-ylpyrrolidine-2-carboxylate Traditional Name: (2S,3S,4S,5S)-3-besyl-4-isobutyryl-5-(2-thienyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1C(C(NC1C2=CC=CS2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)[C@H]1[C@@H]([C@@H](N[C@@H]1C2=CC=CS2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23NO5S2/c1-12(2)18(22)15-16(14-10-7-11-27-14)21-17(20(23)26-3)19(15)28(24,25)13-8-5-4-6-9-13/h4-12,15-17,19,21H,1-3H3/t15-,16+,17+,19-/m0/s1