[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(3-chlorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-(3-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(3-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)NC(=O)NC(C)(C)C)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)NC(=O)NC(C)(C)C)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H21ClN4O4S/c1-11-14-9-15(18(27)29-10-16(26)22-19(28)23-20(2,3)4)30-17(14)25(24-11)13-7-5-6-12(21)8-13/h5-9H,10H2,1-4H3,(H2,22,23,26,28)