(1-methylpyrrolidin-3-yl) 2-(4-phenylmethoxybutoxy)-2,2-dithiophen-2-yl-ethanoate

Systemtic Name: (1-methylpyrrolidin-3-yl) 2-(4-phenylmethoxybutoxy)-2,2-dithiophen-2-yl-ethanoate Openeye Name: (1-methylpyrrolidin-3-yl) 2-(4-benzyloxybutoxy)-2,2-bis(2-thienyl)acetate CAS Name: 2-(4-phenylmethoxybutoxy)-2,2-dithiophen-2-ylacetic acid (1-methyl-3-pyrrolidinyl) ester IUPAC Name: (1-methylpyrrolidin-3-yl) 2-(4-phenylmethoxybutoxy)-2,2-dithiophen-2-ylacetate Traditional Name: 2-(4-benzoxybutoxy)-2,2-bis(2-thienyl)acetic acid (1-methylpyrrolidin-3-yl) ester Formula: C26H31NO4S2 MolecularWeight: 485.65864

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)OCCCCOCC4=CC=CC=C4

Isomeric SMILES

CN1CCC(C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)OCCCCOCC4=CC=CC=C4

InChI

InChI=1S/C26H31NO4S2/c1-27-14-13-22(19-27)31-25(28)26(23-11-7-17-32-23,24-12-8-18-33-24)30-16-6-5-15-29-20-21-9-3-2-4-10-21/h2-4,7-12,17-18,22H,5-6,13-16,19-20H2,1H3