S-[(4-propan-2-ylphenyl)methyl] ethanethioate

Systemtic Name: S-[(4-propan-2-ylphenyl)methyl] ethanethioate Openeye Name: S-[(4-isopropylphenyl)methyl] ethanethioate CAS Name: ethanethioic acid S-[(4-propan-2-ylphenyl)methyl] ester IUPAC Name: S-[(4-propan-2-ylphenyl)methyl] ethanethioate Traditional Name: ethanethioic acid S-(4-isopropylbenzyl) ester Formula: C12H16OS MolecularWeight: 208.31984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC(=O)C

InChI

InChI=1S/C12H16OS/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h4-7,9H,8H2,1-3H3