S-methyl 4-(pyrrolidin-2-ylmethyl)benzenecarbothioate

Systemtic Name: S-methyl 4-(pyrrolidin-2-ylmethyl)benzenecarbothioate Openeye Name: S-methyl 4-(pyrrolidin-2-ylmethyl)benzenecarbothioate CAS Name: 4-(2-pyrrolidinylmethyl)benzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 4-(pyrrolidin-2-ylmethyl)benzenecarbothioate Traditional Name: 4-(pyrrolidin-2-ylmethyl)thiobenzoic acid S-methyl ester Formula: C13H17NOS MolecularWeight: 235.34518

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)C1=CC=C(C=C1)CC2CCCN2

Isomeric SMILES

CSC(=O)C1=CC=C(C=C1)CC2CCCN2

InChI

InChI=1S/C13H17NOS/c1-16-13(15)11-6-4-10(5-7-11)9-12-3-2-8-14-12/h4-7,12,14H,2-3,8-9H2,1H3