methyl 8-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]octanoate

Systemtic Name: methyl 8-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]octanoate Openeye Name: methyl 8-(4,5-diphenyloxazol-2-yl)sulfanyloctanoate CAS Name: 8-[(4,5-diphenyl-2-oxazolyl)thio]octanoic acid methyl ester IUPAC Name: methyl 8-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]octanoate Traditional Name: 8-[(4,5-diphenyloxazol-2-yl)thio]caprylic acid methyl ester Formula: C24H27NO3S MolecularWeight: 409.54108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCSC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCCCCCSC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H27NO3S/c1-27-21(26)17-11-3-2-4-12-18-29-24-25-22(19-13-7-5-8-14-19)23(28-24)20-15-9-6-10-16-20/h5-10,13-16H,2-4,11-12,17-18H2,1H3