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

Systemtic Name: 2-diethylaminoethyl 4-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]benzoate Openeye Name: 2-diethylaminoethyl 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 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 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 2-diethylaminoethyl ester Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O3S/c1-3-30(4-2)16-17-34-27(33)20-12-14-21(15-13-20)28-26(32)23-19-31(22-9-6-5-7-10-22)29-25(23)24-11-8-18-35-24/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,28,32)