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

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-phenoxyanilino)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 [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-phenoxyanilino)propan-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 [(1S)-2-keto-1-methyl-2-(4-phenoxyanilino)ethyl] ester Formula: C28H23N3O4S MolecularWeight: 497.56492

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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)OC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)O[C@@H](C)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H23N3O4S/c1-18-24-17-25(36-27(24)31(30-18)21-9-5-3-6-10-21)28(33)34-19(2)26(32)29-20-13-15-23(16-14-20)35-22-11-7-4-8-12-22/h3-17,19H,1-2H3,(H,29,32)/t19-/m0/s1