[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-keto-2-[2-(2-thenylthio)ethylamino]ethyl] ester Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)C(=O)OCC(=O)NCCSCC3=CC=CS3

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)C(=O)OCC(=O)NCCSCC3=CC=CS3

InChI

InChI=1S/C19H19N3O3S2/c23-18(20-9-12-26-14-17-3-1-11-27-17)13-25-19(24)15-4-6-16(7-5-15)22-10-2-8-21-22/h1-8,10-11H,9,12-14H2,(H,20,23)