methyl 3-(pyrrolidin-1-ylcarbothioylsulfanylmethyl)benzoate

Systemtic Name: methyl 3-(pyrrolidin-1-ylcarbothioylsulfanylmethyl)benzoate Openeye Name: methyl 3-(pyrrolidine-1-carbothioylsulfanylmethyl)benzoate CAS Name: 3-[[[1-pyrrolidinyl(sulfanylidene)methyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(pyrrolidine-1-carbothioylsulfanylmethyl)benzoate Traditional Name: 3-[(pyrrolidine-1-carbothioylthio)methyl]benzoic acid methyl ester Formula: C14H17NO2S2 MolecularWeight: 295.42028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC(=S)N2CCCC2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC(=S)N2CCCC2

InChI

InChI=1S/C14H17NO2S2/c1-17-13(16)12-6-4-5-11(9-12)10-19-14(18)15-7-2-3-8-15/h4-6,9H,2-3,7-8,10H2,1H3