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

Systemtic Name: methyl 7-[5-[(E)-3-acetyloxyoct-1-enyl]-2-methyl-1,3-thiazol-4-yl]heptanoate Openeye Name: methyl 7-[5-[(E)-3-acetoxyoct-1-enyl]-2-methyl-thiazol-4-yl]heptanoate CAS Name: 7-[5-[(E)-3-acetyloxyoct-1-enyl]-2-methyl-4-thiazolyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[5-[(E)-3-acetyloxyoct-1-enyl]-2-methyl-1,3-thiazol-4-yl]heptanoate Traditional Name: 7-[5-[(E)-3-acetoxyoct-1-enyl]-2-methyl-thiazol-4-yl]enanthic acid methyl ester Formula: C22H35NO4S MolecularWeight: 409.5826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35NO4S/c1-5-6-9-12-19(27-18(3)24)15-16-21-20(23-17(2)28-21)13-10-7-8-11-14-22(25)26-4/h15-16,19H,5-14H2,1-4H3/b16-15+