S-(2-pyrrolidin-2-ylethyl) benzenecarbothioate

Systemtic Name: S-(2-pyrrolidin-2-ylethyl) benzenecarbothioate Openeye Name: S-(2-pyrrolidin-2-ylethyl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-(2-pyrrolidinyl)ethyl] ester IUPAC Name: S-(2-pyrrolidin-2-ylethyl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(2-pyrrolidin-2-ylethyl) ester Formula: C13H17NOS MolecularWeight: 235.34518

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)CCSC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CC(NC1)CCSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H17NOS/c15-13(11-5-2-1-3-6-11)16-10-8-12-7-4-9-14-12/h1-3,5-6,12,14H,4,7-10H2