methyl 5-ethyl-2-[(pyridin-2-ylcarbonylamino)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[(pyridin-2-ylcarbonylamino)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(pyridine-2-carbonylamino)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[[oxo(2-pyridinyl)methyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(pyridine-2-carbonylamino)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-(picolinamidothiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C15H16N4O3S2 MolecularWeight: 364.44254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC=CC=N2)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC=CC=N2)C(=O)OC

InChI

InChI=1S/C15H16N4O3S2/c1-3-9-8-10(14(21)22-2)13(24-9)17-15(23)19-18-12(20)11-6-4-5-7-16-11/h4-8H,3H2,1-2H3,(H,18,20)(H2,17,19,23)