methyl 4-ethyl-5-methyl-2-[(pyridin-2-ylcarbonylamino)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-[(pyridin-2-ylcarbonylamino)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[(pyridine-2-carbonylamino)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[[oxo(2-pyridinyl)methyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[(pyridine-2-carbonylamino)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-(picolinamidothiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C16H18N4O3S2 MolecularWeight: 378.46912

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC=CC=N2)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC=CC=N2)C

InChI

InChI=1S/C16H18N4O3S2/c1-4-10-9(2)25-14(12(10)15(22)23-3)18-16(24)20-19-13(21)11-7-5-6-8-17-11/h5-8H,4H2,1-3H3,(H,19,21)(H2,18,20,24)