ethyl 2-oxidanylidene-1-(3-thiophen-2-ylpyrrolidin-3-yl)-2-(3,4,5-trimethoxyphenyl)ethanesulfonate

Systemtic Name: ethyl 2-oxidanylidene-1-(3-thiophen-2-ylpyrrolidin-3-yl)-2-(3,4,5-trimethoxyphenyl)ethanesulfonate Openeye Name: ethyl 2-oxo-1-[3-(2-thienyl)pyrrolidin-3-yl]-2-(3,4,5-trimethoxyphenyl)ethanesulfonate CAS Name: 2-oxo-1-(3-thiophen-2-yl-3-pyrrolidinyl)-2-(3,4,5-trimethoxyphenyl)ethanesulfonic acid ethyl ester IUPAC Name: ethyl 2-oxo-1-(3-thiophen-2-ylpyrrolidin-3-yl)-2-(3,4,5-trimethoxyphenyl)ethanesulfonate Traditional Name: 2-keto-1-[3-(2-thienyl)pyrrolidin-3-yl]-2-(3,4,5-trimethoxyphenyl)ethanesulfonic acid ethyl ester Formula: C21H27NO7S2 MolecularWeight: 469.57158

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C(C(=O)C1=CC(=C(C(=C1)OC)OC)OC)C2(CCNC2)C3=CC=CS3

Isomeric SMILES

CCOS(=O)(=O)C(C(=O)C1=CC(=C(C(=C1)OC)OC)OC)C2(CCNC2)C3=CC=CS3

InChI

InChI=1S/C21H27NO7S2/c1-5-29-31(24,25)20(21(8-9-22-13-21)17-7-6-10-30-17)18(23)14-11-15(26-2)19(28-4)16(12-14)27-3/h6-7,10-12,20,22H,5,8-9,13H2,1-4H3