S-[(2,3,4,5,6-pentamethylphenyl)methyl] ethanethioate

Systemtic Name: S-[(2,3,4,5,6-pentamethylphenyl)methyl] ethanethioate Openeye Name: S-[(2,3,4,5,6-pentamethylphenyl)methyl] ethanethioate CAS Name: ethanethioic acid S-[(2,3,4,5,6-pentamethylphenyl)methyl] ester IUPAC Name: S-[(2,3,4,5,6-pentamethylphenyl)methyl] ethanethioate Traditional Name: ethanethioic acid S-(2,3,4,5,6-pentamethylbenzyl) ester Formula: C14H20OS MolecularWeight: 236.373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)CSC(=O)C)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)CSC(=O)C)C)C

InChI

InChI=1S/C14H20OS/c1-8-9(2)11(4)14(7-16-13(6)15)12(5)10(8)3/h7H2,1-6H3