[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-(3-bromoanilino)-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 [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 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-(3-bromoanilino)-2-keto-ethyl] ester Formula: C21H16BrN3O3S MolecularWeight: 470.33904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN3O3S/c1-13-17-11-18(29-20(17)25(24-13)16-8-3-2-4-9-16)21(27)28-12-19(26)23-15-7-5-6-14(22)10-15/h2-11H,12H2,1H3,(H,23,26)