2-[4-[(5R)-2-oxidanylidene-5-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]pyrrolidin-1-yl]butylsulfanyl]ethanoic acid

Systemtic Name: 2-[4-[(5R)-2-oxidanylidene-5-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]pyrrolidin-1-yl]butylsulfanyl]ethanoic acid Openeye Name: 2-[4-[(2R)-2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-5-oxo-pyrrolidin-1-yl]butylsulfanyl]acetic acid CAS Name: 2-[4-[(2R)-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-5-oxo-1-pyrrolidinyl]butylthio]acetic acid IUPAC Name: 2-[4-[(2R)-2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-5-oxopyrrolidin-1-yl]butylsulfanyl]acetic acid Traditional Name: 2-[4-[(2R)-2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-5-keto-pyrrolidino]butylthio]acetic acid Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1C=CC(CC2=CC=CC=C2)O)CCCCSCC(=O)O

Isomeric SMILES

C1CC(=O)N([C@H]1/C=C/C(CC2=CC=CC=C2)O)CCCCSCC(=O)O

InChI

InChI=1S/C20H27NO4S/c22-18(14-16-6-2-1-3-7-16)10-8-17-9-11-19(23)21(17)12-4-5-13-26-15-20(24)25/h1-3,6-8,10,17-18,22H,4-5,9,11-15H2,(H,24,25)/b10-8+/t17-,18?/m0/s1