4-(1,3-benzodioxol-5-yl)-1-(2-ethylsulfinylethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-(2-ethylsulfinylethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-(2-ethylsulfinylethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-1-(2-ethylsulfinylethyl)-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-(2-ethylsulfinylethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(2-ethylsulfinylethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)CCN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCS(=O)CCN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27NO6S/c1-3-31(27)11-10-24-13-18(16-6-9-19-20(12-16)30-14-29-19)21(23(25)26)22(24)15-4-7-17(28-2)8-5-15/h4-9,12,18,21-22H,3,10-11,13-14H2,1-2H3,(H,25,26)