ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-[2-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]ethyl]pyrrolidine-3-carboxylate

Systemtic Name: ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-[2-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]ethyl]pyrrolidine-3-carboxylate Openeye Name: ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidine-3-carboxylate CAS Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidine-3-carboxylate Traditional Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-[2-(1,1-diketo-1,2-thiazolidin-2-yl)ethyl]pyrrolidine-3-carboxylic acid ethyl ester Formula: C19H26N2O6S MolecularWeight: 410.48454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CNC1CCN2CCCS2(=O)=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](CN[C@H]1CCN2CCCS2(=O)=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H26N2O6S/c1-2-25-19(22)18-14(13-4-5-16-17(10-13)27-12-26-16)11-20-15(18)6-8-21-7-3-9-28(21,23)24/h4-5,10,14-15,18,20H,2-3,6-9,11-12H2,1H3/t14-,15+,18-/m1/s1