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

Systemtic Name: methyl 6-[2-(2-methoxyethylcarbamothioyl)pyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-(2-methoxyethylcarbamothioyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[2-[(2-methoxyethylamino)-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-(2-methoxyethylcarbamothioyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-(2-methoxyethylthiocarbamoyl)pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C15H20N4O4S MolecularWeight: 352.4087

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)N1CCCN1C(=O)C2=NC=C(C=C2)C(=O)OC

Isomeric SMILES

COCCNC(=S)N1CCCN1C(=O)C2=NC=C(C=C2)C(=O)OC

InChI

InChI=1S/C15H20N4O4S/c1-22-9-6-16-15(24)19-8-3-7-18(19)13(20)12-5-4-11(10-17-12)14(21)23-2/h4-5,10H,3,6-9H2,1-2H3,(H,16,24)