[4-[2-(4-butylphenyl)-1,3-thiazol-5-yl]phenyl] heptanoate

Systemtic Name: [4-[2-(4-butylphenyl)-1,3-thiazol-5-yl]phenyl] heptanoate Openeye Name: [4-[2-(4-butylphenyl)thiazol-5-yl]phenyl] heptanoate CAS Name: heptanoic acid [4-[2-(4-butylphenyl)-5-thiazolyl]phenyl] ester IUPAC Name: [4-[2-(4-butylphenyl)-1,3-thiazol-5-yl]phenyl] heptanoate Traditional Name: enanthic acid [4-[2-(4-butylphenyl)thiazol-5-yl]phenyl] ester Formula: C26H31NO2S MolecularWeight: 421.59484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=CC=C(C=C1)C2=CN=C(S2)C3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCCCC(=O)OC1=CC=C(C=C1)C2=CN=C(S2)C3=CC=C(C=C3)CCCC

InChI

InChI=1S/C26H31NO2S/c1-3-5-7-8-10-25(28)29-23-17-15-21(16-18-23)24-19-27-26(30-24)22-13-11-20(12-14-22)9-6-4-2/h11-19H,3-10H2,1-2H3