S-(2-pyrrol-1-ylethyl) benzenecarbothioate

Systemtic Name: S-(2-pyrrol-1-ylethyl) benzenecarbothioate Openeye Name: S-(2-pyrrol-1-ylethyl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-(1-pyrrolyl)ethyl] ester IUPAC Name: S-(2-pyrrol-1-ylethyl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(2-pyrrol-1-ylethyl) ester Formula: C13H13NOS MolecularWeight: 231.31342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCCN2C=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCCN2C=CC=C2

InChI

InChI=1S/C13H13NOS/c15-13(12-6-2-1-3-7-12)16-11-10-14-8-4-5-9-14/h1-9H,10-11H2