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

Systemtic Name: 5-[[1-[4-[(1S)-1-oxidanylheptyl]phenyl]-5-oxidanylidene-pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid Openeye Name: 5-[[1-[4-[(1S)-1-hydroxyheptyl]phenyl]-5-oxo-pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid CAS Name: 5-[[1-[4-[(1S)-1-hydroxyheptyl]phenyl]-5-oxo-2-pyrrolidinyl]methoxymethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[[1-[4-[(1S)-1-hydroxyheptyl]phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid Traditional Name: 5-[[1-[4-[(1S)-1-hydroxyheptyl]phenyl]-5-keto-pyrrolidin-2-yl]methoxymethyl]-2-thenoic acid Formula: C24H31NO5S MolecularWeight: 445.57164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO5S/c1-2-3-4-5-6-21(26)17-7-9-18(10-8-17)25-19(11-14-23(25)27)15-30-16-20-12-13-22(31-20)24(28)29/h7-10,12-13,19,21,26H,2-6,11,14-16H2,1H3,(H,28,29)/t19?,21-/m0/s1