[1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-(4-chloroanilino)-1-methyl-2-oxo-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [1-(4-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chloroanilino)-1-oxopropan-2-yl] 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid [2-(4-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O3S/c1-13-18-12-19(30-21(18)26(25-13)17-6-4-3-5-7-17)22(28)29-14(2)20(27)24-16-10-8-15(23)9-11-16/h3-12,14H,1-2H3,(H,24,27)