[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC(=O)NCCSC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC(=O)NCCSC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-27-18-14-24(16-8-4-2-5-9-16)23-20(18)21(26)28-15-19(25)22-12-13-29-17-10-6-3-7-11-17/h2-11,14H,12-13,15H2,1H3,(H,22,25)