(1-phenylpyrazol-4-yl)methyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]benzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]benzoic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CSC1=CC=CC=C1C(=O)OCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

COCCNC(=O)CSC1=CC=CC=C1C(=O)OCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4S/c1-28-12-11-23-21(26)16-30-20-10-6-5-9-19(20)22(27)29-15-17-13-24-25(14-17)18-7-3-2-4-8-18/h2-10,13-14H,11-12,15-16H2,1H3,(H,23,26)