S-[2-(ethanoylsulfanylmethyl)-6-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]hexyl] ethanethioate

Systemtic Name: S-[2-(ethanoylsulfanylmethyl)-6-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]hexyl] ethanethioate Openeye Name: S-[2-(acetylsulfanylmethyl)-6-[5-methyl-2-(p-tolyl)oxazol-4-yl]hexyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(acetylthio)methyl]-6-[5-methyl-2-(4-methylphenyl)-4-oxazolyl]hexyl] ester IUPAC Name: S-[2-(acetylsulfanylmethyl)-6-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]hexyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(acetylthio)methyl]-6-[5-methyl-2-(p-tolyl)oxazol-4-yl]hexyl] ester Formula: C22H29NO3S2 MolecularWeight: 419.60056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(O2)C)CCCCC(CSC(=O)C)CSC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(O2)C)CCCCC(CSC(=O)C)CSC(=O)C

InChI

InChI=1S/C22H29NO3S2/c1-15-9-11-20(12-10-15)22-23-21(16(2)26-22)8-6-5-7-19(13-27-17(3)24)14-28-18(4)25/h9-12,19H,5-8,13-14H2,1-4H3