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

Systemtic Name: methyl 6-[2-(furan-2-ylmethylcarbamothioyl)pyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-(2-furylmethylcarbamothioyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[2-[(2-furanylmethylamino)-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-(furan-2-ylmethylcarbamothioyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-(2-furfurylthiocarbamoyl)pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C17H18N4O4S MolecularWeight: 374.41422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=S)NCC3=CC=CO3

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=S)NCC3=CC=CO3

InChI

InChI=1S/C17H18N4O4S/c1-24-16(23)12-5-6-14(18-10-12)15(22)20-7-3-8-21(20)17(26)19-11-13-4-2-9-25-13/h2,4-6,9-10H,3,7-8,11H2,1H3,(H,19,26)