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

Systemtic Name: 3-oxidanyl-2-[(E)-4-phenylbut-1-enyl]-2-(2-sulfanylidenepyrrolidin-1-yl)heptanoic acid Openeye Name: 3-hydroxy-2-[(E)-4-phenylbut-1-enyl]-2-(2-thioxopyrrolidin-1-yl)heptanoic acid CAS Name: 3-hydroxy-2-[(E)-4-phenylbut-1-enyl]-2-(2-sulfanylidene-1-pyrrolidinyl)heptanoic acid IUPAC Name: 3-hydroxy-2-[(E)-4-phenylbut-1-enyl]-2-(2-sulfanylidenepyrrolidin-1-yl)heptanoic acid Traditional Name: (E)-2-(1-hydroxypentyl)-6-phenyl-2-(2-thioxopyrrolidino)hex-3-enoic acid Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO3S/c1-2-3-13-18(23)21(20(24)25,22-16-9-14-19(22)26)15-8-7-12-17-10-5-4-6-11-17/h4-6,8,10-11,15,18,23H,2-3,7,9,12-14,16H2,1H3,(H,24,25)/b15-8+