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

Systemtic Name: methyl (2S,3S,4S,5S)-4-ethanoyl-3-(phenylsulfonyl)-5-thiophen-2-yl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,3S,4S,5S)-4-acetyl-3-(benzenesulfonyl)-5-(2-thienyl)pyrrolidine-2-carboxylate CAS Name: (2S,3S,4S,5S)-4-acetyl-3-(benzenesulfonyl)-5-thiophen-2-yl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4S,5S)-4-acetyl-3-(benzenesulfonyl)-5-thiophen-2-ylpyrrolidine-2-carboxylate Traditional Name: (2S,3S,4S,5S)-4-acetyl-3-besyl-5-(2-thienyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C18H19NO5S2 MolecularWeight: 393.47716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=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/C18H19NO5S2/c1-11(20)14-15(13-9-6-10-25-13)19-16(18(21)24-2)17(14)26(22,23)12-7-4-3-5-8-12/h3-10,14-17,19H,1-2H3/t14-,15-,16-,17+/m1/s1