phenyl 4-[3-(5-butylthiophen-2-yl)-1,2-oxazol-5-yl]nonanoate

Systemtic Name: phenyl 4-[3-(5-butylthiophen-2-yl)-1,2-oxazol-5-yl]nonanoate Openeye Name: phenyl 4-[3-(5-butyl-2-thienyl)isoxazol-5-yl]nonanoate CAS Name: 4-[3-(5-butyl-2-thiophenyl)-5-isoxazolyl]nonanoic acid phenyl ester IUPAC Name: phenyl 4-[3-(5-butylthiophen-2-yl)-1,2-oxazol-5-yl]nonanoate Traditional Name: 4-[3-(5-butyl-2-thienyl)isoxazol-5-yl]pelargonic acid phenyl ester Formula: C26H33NO3S MolecularWeight: 439.61012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC(=O)OC1=CC=CC=C1)C2=CC(=NO2)C3=CC=C(S3)CCCC

Isomeric SMILES

CCCCCC(CCC(=O)OC1=CC=CC=C1)C2=CC(=NO2)C3=CC=C(S3)CCCC

InChI

InChI=1S/C26H33NO3S/c1-3-5-8-11-20(15-18-26(28)29-21-12-9-7-10-13-21)24-19-23(27-30-24)25-17-16-22(31-25)14-6-4-2/h7,9-10,12-13,16-17,19-20H,3-6,8,11,14-15,18H2,1-2H3