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

Systemtic Name: S-(2-pyrrolidin-1-ylethyl) benzenecarbothioate Openeye Name: S-(2-pyrrolidin-1-ylethyl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: S-(2-pyrrolidin-1-ylethyl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(2-pyrrolidinoethyl) ester Formula: C13H17NOS MolecularWeight: 235.34518

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCSC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCN(C1)CCSC(=O)C2=CC=CC=C2

InChI

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