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

Systemtic Name: [(3R)-1-(3-phenoxypropyl)pyrrolidin-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [(3R)-1-(3-phenoxypropyl)pyrrolidin-3-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid [(3R)-1-(3-phenoxypropyl)-3-pyrrolidinyl] ester IUPAC Name: [(3R)-1-(3-phenoxypropyl)pyrrolidin-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid [(3R)-1-(3-phenoxypropyl)pyrrolidin-3-yl] ester Formula: C23H25NO4S2 MolecularWeight: 443.5789

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1OC(=O)C(C2=CC=CS2)(C3=CC=CS3)O)CCCOC4=CC=CC=C4

Isomeric SMILES

C1CN(C[C@@H]1OC(=O)C(C2=CC=CS2)(C3=CC=CS3)O)CCCOC4=CC=CC=C4

InChI

InChI=1S/C23H25NO4S2/c25-22(23(26,20-9-4-15-29-20)21-10-5-16-30-21)28-19-11-13-24(17-19)12-6-14-27-18-7-2-1-3-8-18/h1-5,7-10,15-16,19,26H,6,11-14,17H2/t19-/m1/s1