methyl 5-ethyl-2-[[(2-methylpyrazol-3-yl)carbonylamino]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[[(2-methylpyrazol-3-yl)carbonylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[(2-methylpyrazole-3-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[[(2-methyl-3-pyrazolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[(2-methylpyrazole-3-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[(2-methylpyrazole-3-carbonyl)amino]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C14H17N5O3S2 MolecularWeight: 367.44648

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC=NN2C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC=NN2C)C(=O)OC

InChI

InChI=1S/C14H17N5O3S2/c1-4-8-7-9(13(21)22-3)12(24-8)16-14(23)18-17-11(20)10-5-6-15-19(10)2/h5-7H,4H2,1-3H3,(H,17,20)(H2,16,18,23)