[(3R)-1-(2-phenoxyethyl)pyrrolidin-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate

Systemtic Name: [(3R)-1-(2-phenoxyethyl)pyrrolidin-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [(3R)-1-(2-phenoxyethyl)pyrrolidin-3-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid [(3R)-1-(2-phenoxyethyl)-3-pyrrolidinyl] ester IUPAC Name: [(3R)-1-(2-phenoxyethyl)pyrrolidin-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid [(3R)-1-(2-phenoxyethyl)pyrrolidin-3-yl] ester Formula: C22H23NO4S2 MolecularWeight: 429.55232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1OC(=O)C(C2=CC=CS2)(C3=CC=CS3)O)CCOC4=CC=CC=C4

Isomeric SMILES

C1CN(C[C@@H]1OC(=O)C(C2=CC=CS2)(C3=CC=CS3)O)CCOC4=CC=CC=C4

InChI

InChI=1S/C22H23NO4S2/c24-21(22(25,19-8-4-14-28-19)20-9-5-15-29-20)27-18-10-11-23(16-18)12-13-26-17-6-2-1-3-7-17/h1-9,14-15,18,25H,10-13,16H2/t18-/m1/s1