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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-(phenylmethyl)-5-thieno[2,3-c]pyrazolecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 1-benzyl-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)NC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)NC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O3S/c1-15-18-12-19(22(27)28-14-20(26)23-17-10-6-3-7-11-17)29-21(18)25(24-15)13-16-8-4-2-5-9-16/h2-12H,13-14H2,1H3,(H,23,26)