(1-methylpyrrolidin-3-yl) 2-(2-phenylmethoxyethoxy)-2,2-dithiophen-2-yl-ethanoate

Systemtic Name: (1-methylpyrrolidin-3-yl) 2-(2-phenylmethoxyethoxy)-2,2-dithiophen-2-yl-ethanoate Openeye Name: (1-methylpyrrolidin-3-yl) 2-(2-benzyloxyethoxy)-2,2-bis(2-thienyl)acetate CAS Name: 2-(2-phenylmethoxyethoxy)-2,2-dithiophen-2-ylacetic acid (1-methyl-3-pyrrolidinyl) ester IUPAC Name: (1-methylpyrrolidin-3-yl) 2-(2-phenylmethoxyethoxy)-2,2-dithiophen-2-ylacetate Traditional Name: 2-(2-benzoxyethoxy)-2,2-bis(2-thienyl)acetic acid (1-methylpyrrolidin-3-yl) ester Formula: C24H27NO4S2 MolecularWeight: 457.60548

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)OCCOCC4=CC=CC=C4

Isomeric SMILES

CN1CCC(C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)OCCOCC4=CC=CC=C4

InChI

InChI=1S/C24H27NO4S2/c1-25-12-11-20(17-25)29-23(26)24(21-9-5-15-30-21,22-10-6-16-31-22)28-14-13-27-18-19-7-3-2-4-8-19/h2-10,15-16,20H,11-14,17-18H2,1H3