methyl 4-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]benzoate Openeye Name: methyl 4-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]benzoate CAS Name: 4-[[oxo-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]benzoate Traditional Name: 4-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]benzoic acid methyl ester Formula: C22H17N3O3S MolecularWeight: 403.45368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O3S/c1-28-22(27)15-9-11-16(12-10-15)23-21(26)18-14-25(17-6-3-2-4-7-17)24-20(18)19-8-5-13-29-19/h2-14H,1H3,(H,23,26)