S-[(1-methylindol-3-yl)methyl] ethanethioate

Systemtic Name: S-[(1-methylindol-3-yl)methyl] ethanethioate Openeye Name: S-[(1-methylindol-3-yl)methyl] ethanethioate CAS Name: ethanethioic acid S-[(1-methyl-3-indolyl)methyl] ester IUPAC Name: S-[(1-methylindol-3-yl)methyl] ethanethioate Traditional Name: ethanethioic acid S-[(1-methylindol-3-yl)methyl] ester Formula: C12H13NOS MolecularWeight: 219.30272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CN(C2=CC=CC=C21)C

Isomeric SMILES

CC(=O)SCC1=CN(C2=CC=CC=C21)C

InChI

InChI=1S/C12H13NOS/c1-9(14)15-8-10-7-13(2)12-6-4-3-5-11(10)12/h3-7H,8H2,1-2H3