[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-(1-phenylpyrazol-4-yl)acetate CAS Name: 2-(1-phenyl-4-pyrazolyl)acetic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-(1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(1-phenylpyrazol-4-yl)acetic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CC(=O)OCC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CC(=O)OCC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3S/c26-21(23-12-7-13-29-20-10-5-2-6-11-20)17-28-22(27)14-18-15-24-25(16-18)19-8-3-1-4-9-19/h1-6,8-11,15-16H,7,12-14,17H2,(H,23,26)