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

Systemtic Name: methyl 5-ethyl-2-[(2-methylpyrazol-3-yl)methylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(2-methylpyrazol-3-yl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[(2-methyl-3-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(2-methylpyrazol-3-yl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(2-methylpyrazol-3-yl)methylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C14H18N4O2S2 MolecularWeight: 338.44832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCC2=CC=NN2C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCC2=CC=NN2C)C(=O)OC

InChI

InChI=1S/C14H18N4O2S2/c1-4-10-7-11(13(19)20-3)12(22-10)17-14(21)15-8-9-5-6-16-18(9)2/h5-7H,4,8H2,1-3H3,(H2,15,17,21)