methyl 3-(pyrrolidin-1-ylcarbothioylcarbamoyl)benzoate

Systemtic Name: methyl 3-(pyrrolidin-1-ylcarbothioylcarbamoyl)benzoate Openeye Name: methyl 3-(pyrrolidine-1-carbothioylcarbamoyl)benzoate CAS Name: 3-[oxo-[[1-pyrrolidinyl(sulfanylidene)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(pyrrolidine-1-carbothioylcarbamoyl)benzoate Traditional Name: 3-(pyrrolidine-1-carbothioylcarbamoyl)benzoic acid methyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3S/c1-19-13(18)11-6-4-5-10(9-11)12(17)15-14(20)16-7-2-3-8-16/h4-6,9H,2-3,7-8H2,1H3,(H,15,17,20)