4-(3-ethylphenyl)-2-[(E)-3-oxidanylbut-1-enyl]-2-(2-sulfanylidenepyrrolidin-1-yl)heptanoic acid

Systemtic Name: 4-(3-ethylphenyl)-2-[(E)-3-oxidanylbut-1-enyl]-2-(2-sulfanylidenepyrrolidin-1-yl)heptanoic acid Openeye Name: 4-(3-ethylphenyl)-2-[(E)-3-hydroxybut-1-enyl]-2-(2-thioxopyrrolidin-1-yl)heptanoic acid CAS Name: 4-(3-ethylphenyl)-2-[(E)-3-hydroxybut-1-enyl]-2-(2-sulfanylidene-1-pyrrolidinyl)heptanoic acid IUPAC Name: 4-(3-ethylphenyl)-2-[(E)-3-hydroxybut-1-enyl]-2-(2-sulfanylidenepyrrolidin-1-yl)heptanoic acid Traditional Name: (E)-2-[2-(3-ethylphenyl)pentyl]-5-hydroxy-2-(2-thioxopyrrolidino)hex-3-enoic acid Formula: C23H33NO3S MolecularWeight: 403.57802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(C=CC(C)O)(C(=O)O)N1CCCC1=S)C2=CC=CC(=C2)CC

Isomeric SMILES

CCCC(CC(/C=C/C(C)O)(C(=O)O)N1CCCC1=S)C2=CC=CC(=C2)CC

InChI

InChI=1S/C23H33NO3S/c1-4-8-20(19-10-6-9-18(5-2)15-19)16-23(22(26)27,13-12-17(3)25)24-14-7-11-21(24)28/h6,9-10,12-13,15,17,20,25H,4-5,7-8,11,14,16H2,1-3H3,(H,26,27)/b13-12+