methyl 5-ethyl-2-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[(1-ethyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(1-ethylpyrazol-4-yl)methylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C15H20N4O2S2 MolecularWeight: 352.4749

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCC2=CN(N=C2)CC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCC2=CN(N=C2)CC)C(=O)OC

InChI

InChI=1S/C15H20N4O2S2/c1-4-11-6-12(14(20)21-3)13(23-11)18-15(22)16-7-10-8-17-19(5-2)9-10/h6,8-9H,4-5,7H2,1-3H3,(H2,16,18,22)