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

Systemtic Name: 5-[[(2S)-1-(4-hexanoylphenyl)-5-oxidanylidene-pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid Openeye Name: 5-[[(2S)-1-(4-hexanoylphenyl)-5-oxo-pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid CAS Name: 5-[[(2S)-5-oxo-1-[4-(1-oxohexyl)phenyl]-2-pyrrolidinyl]methoxymethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[[(2S)-1-(4-hexanoylphenyl)-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid Traditional Name: 5-[[(2S)-1-(4-caproylphenyl)-5-keto-pyrrolidin-2-yl]methoxymethyl]-2-thenoic acid Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC(=O)C1=CC=C(C=C1)N2[C@@H](CCC2=O)COCC3=CC=C(S3)C(=O)O

InChI

InChI=1S/C23H27NO5S/c1-2-3-4-5-20(25)16-6-8-17(9-7-16)24-18(10-13-22(24)26)14-29-15-19-11-12-21(30-19)23(27)28/h6-9,11-12,18H,2-5,10,13-15H2,1H3,(H,27,28)/t18-/m0/s1