methyl 4-pyrrolidin-1-ylcarbothioylbenzoate

Systemtic Name: methyl 4-pyrrolidin-1-ylcarbothioylbenzoate Openeye Name: methyl 4-(pyrrolidine-1-carbothioyl)benzoate CAS Name: 4-[1-pyrrolidinyl(sulfanylidene)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(pyrrolidine-1-carbothioyl)benzoate Traditional Name: 4-(pyrrolidine-1-carbothioyl)benzoic acid methyl ester Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO2S/c1-16-13(15)11-6-4-10(5-7-11)12(17)14-8-2-3-9-14/h4-7H,2-3,8-9H2,1H3