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

Systemtic Name: methyl 4-chloranyl-3-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[oxo-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]benzoate Traditional Name: 4-chloro-3-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]benzoic acid methyl ester Formula: C22H16ClN3O3S MolecularWeight: 437.89874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3O3S/c1-29-22(28)14-9-10-17(23)18(12-14)24-21(27)16-13-26(15-6-3-2-4-7-15)25-20(16)19-8-5-11-30-19/h2-13H,1H3,(H,24,27)