S-[(4-ethynylphenyl)methyl] ethanethioate

Systemtic Name: S-[(4-ethynylphenyl)methyl] ethanethioate Openeye Name: S-[(4-ethynylphenyl)methyl] ethanethioate CAS Name: ethanethioic acid S-[(4-ethynylphenyl)methyl] ester IUPAC Name: S-[(4-ethynylphenyl)methyl] ethanethioate Traditional Name: ethanethioic acid S-(4-ethynylbenzyl) ester Formula: C11H10OS MolecularWeight: 190.2615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CC=C(C=C1)C#C

Isomeric SMILES

CC(=O)SCC1=CC=C(C=C1)C#C

InChI

InChI=1S/C11H10OS/c1-3-10-4-6-11(7-5-10)8-13-9(2)12/h1,4-7H,8H2,2H3