methyl 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-3,5-dimethyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C17H22N4O2S2 MolecularWeight: 378.51218

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)C

InChI

InChI=1S/C17H22N4O2S2/c1-5-21-10(3)14(9(2)20-21)18-17(24)19-15-13(16(22)23-4)11-7-6-8-12(11)25-15/h5-8H2,1-4H3,(H2,18,19,24)