3-oxidanyl-2-[(E)-4-(3-propylphenyl)but-1-enyl]-2-(2-sulfanylidenepyrrolidin-1-yl)heptanoic acid

Systemtic Name: 3-oxidanyl-2-[(E)-4-(3-propylphenyl)but-1-enyl]-2-(2-sulfanylidenepyrrolidin-1-yl)heptanoic acid Openeye Name: 3-hydroxy-2-[(E)-4-(3-propylphenyl)but-1-enyl]-2-(2-thioxopyrrolidin-1-yl)heptanoic acid CAS Name: 3-hydroxy-2-[(E)-4-(3-propylphenyl)but-1-enyl]-2-(2-sulfanylidene-1-pyrrolidinyl)heptanoic acid IUPAC Name: 3-hydroxy-2-[(E)-4-(3-propylphenyl)but-1-enyl]-2-(2-sulfanylidenepyrrolidin-1-yl)heptanoic acid Traditional Name: (E)-2-(1-hydroxypentyl)-6-(3-propylphenyl)-2-(2-thioxopyrrolidino)hex-3-enoic acid Formula: C24H35NO3S MolecularWeight: 417.6046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C=CCCC1=CC(=CC=C1)CCC)(C(=O)O)N2CCCC2=S)O

Isomeric SMILES

CCCCC(C(/C=C/CCC1=CC(=CC=C1)CCC)(C(=O)O)N2CCCC2=S)O

InChI

InChI=1S/C24H35NO3S/c1-3-5-14-21(26)24(23(27)28,25-17-9-15-22(25)29)16-7-6-11-20-13-8-12-19(18-20)10-4-2/h7-8,12-13,16,18,21,26H,3-6,9-11,14-15,17H2,1-2H3,(H,27,28)/b16-7+