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

Systemtic Name: [1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [1-methyl-2-(4-morpholinoanilino)-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-(4-morpholinyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-morpholin-4-ylanilino)-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-keto-1-methyl-2-(4-morpholinoanilino)ethyl] ester Formula: C26H26N4O4S MolecularWeight: 490.57404

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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)N4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)N4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4O4S/c1-17-22-16-23(35-25(22)30(28-17)21-6-4-3-5-7-21)26(32)34-18(2)24(31)27-19-8-10-20(11-9-19)29-12-14-33-15-13-29/h3-11,16,18H,12-15H2,1-2H3,(H,27,31)