methyl 6-[2-(cyclopentylcarbamothioyl)pyrazolidin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[2-(cyclopentylcarbamothioyl)pyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-(cyclopentylcarbamothioyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[2-[(cyclopentylamino)-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-(cyclopentylcarbamothioyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-(cyclopentylthiocarbamoyl)pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=S)NC3CCCC3

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=S)NC3CCCC3

InChI

InChI=1S/C17H22N4O3S/c1-24-16(23)12-7-8-14(18-11-12)15(22)20-9-4-10-21(20)17(25)19-13-5-2-3-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,19,25)