methyl 4-[[3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazol-5-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazol-5-yl]carbonylamino]benzoate Openeye Name: methyl 4-[(1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]benzoate CAS Name: 4-[[[3-methyl-1-(phenylmethyl)-5-thieno[2,3-c]pyrazolyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-benzyl-3-methylthieno[2,3-c]pyrazole-5-carbonyl)amino]benzoate Traditional Name: 4-[(1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]benzoic acid methyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O3S/c1-14-18-12-19(20(26)23-17-10-8-16(9-11-17)22(27)28-2)29-21(18)25(24-14)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,23,26)