[1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [1-methyl-2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [1-oxo-1-[(4-phenyl-2-thiazolyl)amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-keto-1-methyl-2-[(4-phenylthiazol-2-yl)amino]ethyl] ester Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H18N4O3S/c1-15(20(27)25-22-24-19(14-30-22)16-6-3-2-4-7-16)29-21(28)17-8-10-18(11-9-17)26-13-5-12-23-26/h2-15H,1H3,(H,24,25,27)