[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-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-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-keto-2-[2-(2-thenylthio)ethylamino]ethyl] ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NCCSCC3=CC=CS3

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NCCSCC3=CC=CS3

InChI

InChI=1S/C20H21N3O3S2/c1-15-8-9-22-23(15)17-6-4-16(5-7-17)20(25)26-13-19(24)21-10-12-27-14-18-3-2-11-28-18/h2-9,11H,10,12-14H2,1H3,(H,21,24)