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

Systemtic Name: methyl 6-[2-[(3-ethoxy-3-oxidanylidene-propyl)carbamothioyl]pyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-[(3-ethoxy-3-oxo-propyl)carbamothioyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[[2-[[(3-ethoxy-3-oxopropyl)amino]-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-[(3-ethoxy-3-oxopropyl)carbamothioyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-[(3-ethoxy-3-keto-propyl)thiocarbamoyl]pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C17H22N4O5S MolecularWeight: 394.44538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O5S/c1-3-26-14(22)7-8-18-17(27)21-10-4-9-20(21)15(23)13-6-5-12(11-19-13)16(24)25-2/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,27)