[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 1-(2-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl] 1-(2-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-(3,4-dichloroanilino)-2-oxo-ethyl] 1-(2-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1-(2-chlorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-(3,4-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dichloroanilino)-2-oxoethyl] 1-(2-chlorophenyl)-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-(2-chlorophenyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid [2-(3,4-dichloroanilino)-2-keto-ethyl] ester Formula: C21H14Cl3N3O3S MolecularWeight: 494.77816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H14Cl3N3O3S/c1-11-13-9-18(31-20(13)27(26-11)17-5-3-2-4-15(17)23)21(29)30-10-19(28)25-12-6-7-14(22)16(24)8-12/h2-9H,10H2,1H3,(H,25,28)