methyl 7-[2-methyl-5-[(E)-3-oxidanyloct-1-enyl]-1,3-thiazol-4-yl]heptanoate

Systemtic Name: methyl 7-[2-methyl-5-[(E)-3-oxidanyloct-1-enyl]-1,3-thiazol-4-yl]heptanoate Openeye Name: methyl 7-[5-[(E)-3-hydroxyoct-1-enyl]-2-methyl-thiazol-4-yl]heptanoate CAS Name: 7-[5-[(E)-3-hydroxyoct-1-enyl]-2-methyl-4-thiazolyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[5-[(E)-3-hydroxyoct-1-enyl]-2-methyl-1,3-thiazol-4-yl]heptanoate Traditional Name: 7-[5-[(E)-3-hydroxyoct-1-enyl]-2-methyl-thiazol-4-yl]enanthic acid methyl ester Formula: C20H33NO3S MolecularWeight: 367.54592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1=C(N=C(S1)C)CCCCCCC(=O)OC)O

Isomeric SMILES

CCCCCC(/C=C/C1=C(N=C(S1)C)CCCCCCC(=O)OC)O

InChI

InChI=1S/C20H33NO3S/c1-4-5-8-11-17(22)14-15-19-18(21-16(2)25-19)12-9-6-7-10-13-20(23)24-3/h14-15,17,22H,4-13H2,1-3H3/b15-14+