5-[[5-oxidanylidene-1-[4-[(1S)-1-oxidanylpentyl]phenyl]pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[[5-oxidanylidene-1-[4-[(1S)-1-oxidanylpentyl]phenyl]pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid Openeye Name: 5-[[1-[4-[(1S)-1-hydroxypentyl]phenyl]-5-oxo-pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid CAS Name: 5-[[1-[4-[(1S)-1-hydroxypentyl]phenyl]-5-oxo-2-pyrrolidinyl]methoxymethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[[1-[4-[(1S)-1-hydroxypentyl]phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid Traditional Name: 5-[[1-[4-[(1S)-1-hydroxypentyl]phenyl]-5-keto-pyrrolidin-2-yl]methoxymethyl]-2-thenoic acid Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)N2C(CCC2=O)COCC3=CC=C(S3)C(=O)O)O

Isomeric SMILES

CCCC[C@@H](C1=CC=C(C=C1)N2C(CCC2=O)COCC3=CC=C(S3)C(=O)O)O

InChI

InChI=1S/C22H27NO5S/c1-2-3-4-19(24)15-5-7-16(8-6-15)23-17(9-12-21(23)25)13-28-14-18-10-11-20(29-18)22(26)27/h5-8,10-11,17,19,24H,2-4,9,12-14H2,1H3,(H,26,27)/t17?,19-/m0/s1