3-ethyl-5-[2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]pyrrolidin-1-yl]thiophene-2-carboxylic acid

Systemtic Name: 3-ethyl-5-[2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]pyrrolidin-1-yl]thiophene-2-carboxylic acid Openeye Name: 3-ethyl-5-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-pyrrolidin-1-yl]thiophene-2-carboxylic acid CAS Name: 3-ethyl-5-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-1-pyrrolidinyl]-2-thiophenecarboxylic acid IUPAC Name: 3-ethyl-5-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]thiophene-2-carboxylic acid Traditional Name: 3-ethyl-5-[2-[(E)-3-hydroxyoct-1-enyl]-5-keto-pyrrolidino]-2-thenoic acid Formula: C19H27NO4S MolecularWeight: 365.48698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1CCC(=O)N1C2=CC(=C(S2)C(=O)O)CC)O

Isomeric SMILES

CCCCCC(/C=C/C1CCC(=O)N1C2=CC(=C(S2)C(=O)O)CC)O

InChI

InChI=1S/C19H27NO4S/c1-3-5-6-7-15(21)10-8-14-9-11-16(22)20(14)17-12-13(4-2)18(25-17)19(23)24/h8,10,12,14-15,21H,3-7,9,11H2,1-2H3,(H,23,24)/b10-8+