[2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-(4-anilino-N-isopropyl-anilino)-2-oxo-ethyl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1,3-dimethyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylic acid [2-(4-anilino-N-isopropyl-anilino)-2-keto-ethyl] ester Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)N(C3=CC=C(C=C3)NC4=CC=CC=C4)C(C)C)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)N(C3=CC=C(C=C3)NC4=CC=CC=C4)C(C)C)C

InChI

InChI=1S/C25H26N4O3S/c1-16(2)29(20-12-10-19(11-13-20)26-18-8-6-5-7-9-18)23(30)15-32-25(31)22-14-21-17(3)27-28(4)24(21)33-22/h5-14,16,26H,15H2,1-4H3