methyl 1-(4-carbamothioylpyridin-2-yl)pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-(4-carbamothioylpyridin-2-yl)pyrrolidine-2-carboxylate Openeye Name: methyl 1-(4-carbamothioyl-2-pyridyl)pyrrolidine-2-carboxylate CAS Name: 1-(4-carbamothioyl-2-pyridinyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-carbamothioylpyridin-2-yl)pyrrolidine-2-carboxylate Traditional Name: 1-(4-thiocarbamoyl-2-pyridyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C2=NC=CC(=C2)C(=S)N

Isomeric SMILES

COC(=O)C1CCCN1C2=NC=CC(=C2)C(=S)N

InChI

InChI=1S/C12H15N3O2S/c1-17-12(16)9-3-2-6-15(9)10-7-8(11(13)18)4-5-14-10/h4-5,7,9H,2-3,6H2,1H3,(H2,13,18)