[4-(thiophen-2-ylcarbonylamino)phenyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate CAS Name: 3-(1,3,5-trimethyl-4-pyrazolyl)propanoic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate Traditional Name: 3-(1,3,5-trimethylpyrazol-4-yl)propionic acid [4-(2-thenoylamino)phenyl] ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H21N3O3S/c1-13-17(14(2)23(3)22-13)10-11-19(24)26-16-8-6-15(7-9-16)21-20(25)18-5-4-12-27-18/h4-9,12H,10-11H2,1-3H3,(H,21,25)