methyl 6-[2-[(2-ethoxy-2-oxidanylidene-ethyl)carbamothioyl]pyrazolidin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[2-[(2-ethoxy-2-oxidanylidene-ethyl)carbamothioyl]pyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-[(2-ethoxy-2-oxo-ethyl)carbamothioyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[2-[[(2-ethoxy-2-oxoethyl)amino]-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-[(2-ethoxy-2-oxoethyl)carbamothioyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-[(2-ethoxy-2-keto-ethyl)thiocarbamoyl]pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)N1CCCN1C(=O)C2=NC=C(C=C2)C(=O)OC

Isomeric SMILES

CCOC(=O)CNC(=S)N1CCCN1C(=O)C2=NC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H20N4O5S/c1-3-25-13(21)10-18-16(26)20-8-4-7-19(20)14(22)12-6-5-11(9-17-12)15(23)24-2/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,26)