7-[5-[(E)-3-oxidanylideneoct-1-enyl]-1,3-thiazol-4-yl]heptanoic acid

Systemtic Name: 7-[5-[(E)-3-oxidanylideneoct-1-enyl]-1,3-thiazol-4-yl]heptanoic acid Openeye Name: 7-[5-[(E)-3-oxooct-1-enyl]thiazol-4-yl]heptanoic acid CAS Name: 7-[5-[(E)-3-oxooct-1-enyl]-4-thiazolyl]heptanoic acid IUPAC Name: 7-[5-[(E)-3-oxooct-1-enyl]-1,3-thiazol-4-yl]heptanoic acid Traditional Name: 7-[5-[(E)-3-ketooct-1-enyl]thiazol-4-yl]enanthic acid Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C=CC1=C(N=CS1)CCCCCCC(=O)O

Isomeric SMILES

CCCCCC(=O)/C=C/C1=C(N=CS1)CCCCCCC(=O)O

InChI

InChI=1S/C18H27NO3S/c1-2-3-6-9-15(20)12-13-17-16(19-14-23-17)10-7-4-5-8-11-18(21)22/h12-14H,2-11H2,1H3,(H,21,22)/b13-12+