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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NCC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NCC3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

InChI

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