methyl 2-(pyrrolidin-1-ylcarbothioylamino)benzoate

Systemtic Name: methyl 2-(pyrrolidin-1-ylcarbothioylamino)benzoate Openeye Name: methyl 2-(pyrrolidine-1-carbothioylamino)benzoate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(pyrrolidine-1-carbothioylamino)benzoate Traditional Name: 2-(pyrrolidine-1-carbothioylamino)benzoic acid methyl ester Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCCC2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCCC2

InChI

InChI=1S/C13H16N2O2S/c1-17-12(16)10-6-2-3-7-11(10)14-13(18)15-8-4-5-9-15/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,18)