7-[(2R)-2-[(E,3S)-3-oxidanyl-4-phenyl-but-1-enyl]-5-sulfanylidene-pyrrolidin-1-yl]heptanoic acid

Systemtic Name: 7-[(2R)-2-[(E,3S)-3-oxidanyl-4-phenyl-but-1-enyl]-5-sulfanylidene-pyrrolidin-1-yl]heptanoic acid Openeye Name: 7-[(2R)-2-[(E,3S)-3-hydroxy-4-phenyl-but-1-enyl]-5-thioxo-pyrrolidin-1-yl]heptanoic acid CAS Name: 7-[(2R)-2-[(E,3S)-3-hydroxy-4-phenylbut-1-enyl]-5-sulfanylidene-1-pyrrolidinyl]heptanoic acid IUPAC Name: 7-[(2R)-2-[(E,3S)-3-hydroxy-4-phenylbut-1-enyl]-5-sulfanylidenepyrrolidin-1-yl]heptanoic acid Traditional Name: 7-[(2R)-2-[(E,3S)-3-hydroxy-4-phenyl-but-1-enyl]-5-thioxo-pyrrolidino]enanthic acid Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=S)N(C1C=CC(CC2=CC=CC=C2)O)CCCCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO3S/c23-19(16-17-8-4-3-5-9-17)13-11-18-12-14-20(26)22(18)15-7-2-1-6-10-21(24)25/h3-5,8-9,11,13,18-19,23H,1-2,6-7,10,12,14-16H2,(H,24,25)/b13-11+/t18-,19+/m0/s1