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

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (2-benzamido-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-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-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-benzamido-2-keto-ethyl) ester Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O4S/c1-14-17-12-18(30-21(17)25(24-14)16-10-6-3-7-11-16)22(28)29-13-19(26)23-20(27)15-8-4-2-5-9-15/h2-12H,13H2,1H3,(H,23,26,27)