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

Systemtic Name: methyl 2-[(4-chloranyl-2,5-dimethyl-pyrazol-3-yl)carbonylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-2,5-dimethyl-pyrazole-3-carbonyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[(4-chloro-2,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-chloro-2,5-dimethyl-pyrazole-3-carbonyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C16H17ClN4O3S2 MolecularWeight: 412.91418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Cl)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)C

Isomeric SMILES

CC1=NN(C(=C1Cl)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)C

InChI

InChI=1S/C16H17ClN4O3S2/c1-7-11(17)12(21(2)20-7)13(22)18-16(25)19-14-10(15(23)24-3)8-5-4-6-9(8)26-14/h4-6H2,1-3H3,(H2,18,19,22,25)