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

Systemtic Name: (1-methylpyrrolidin-3-yl) 2-(3-phenylmethoxypropoxy)-2,2-dithiophen-2-yl-ethanoate Openeye Name: (1-methylpyrrolidin-3-yl) 2-(3-benzyloxypropoxy)-2,2-bis(2-thienyl)acetate CAS Name: 2-(3-phenylmethoxypropoxy)-2,2-dithiophen-2-ylacetic acid (1-methyl-3-pyrrolidinyl) ester IUPAC Name: (1-methylpyrrolidin-3-yl) 2-(3-phenylmethoxypropoxy)-2,2-dithiophen-2-ylacetate Traditional Name: 2-(3-benzoxypropoxy)-2,2-bis(2-thienyl)acetic acid (1-methylpyrrolidin-3-yl) ester Formula: C25H29NO4S2 MolecularWeight: 471.63206

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)OCCCOCC4=CC=CC=C4

Isomeric SMILES

CN1CCC(C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)OCCCOCC4=CC=CC=C4

InChI

InChI=1S/C25H29NO4S2/c1-26-13-12-21(18-26)30-24(27)25(22-10-5-16-31-22,23-11-6-17-32-23)29-15-7-14-28-19-20-8-3-2-4-9-20/h2-6,8-11,16-17,21H,7,12-15,18-19H2,1H3