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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (2-anilino-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-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-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-anilino-2-keto-ethyl) ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O3S/c1-14-17-12-18(28-20(17)24(23-14)16-10-6-3-7-11-16)21(26)27-13-19(25)22-15-8-4-2-5-9-15/h2-12H,13H2,1H3,(H,22,25)