[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 2-(2-azanyl-2-oxidanylidene-ethoxy)benzoate

Systemtic Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 2-(2-azanyl-2-oxidanylidene-ethoxy)benzoate Openeye Name: [2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-(2-amino-2-oxo-ethoxy)benzoate CAS Name: 2-(2-amino-2-oxoethoxy)benzoic acid [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate Traditional Name: 2-(2-amino-2-keto-ethoxy)benzoic acid [2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C22H19N3O5S2 MolecularWeight: 469.53336

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)COC(=O)C3=CC=CC=C3OCC(=O)N)C4=CC=CS4

Isomeric SMILES

C1C(N(N=C1C2=CC=CS2)C(=O)COC(=O)C3=CC=CC=C3OCC(=O)N)C4=CC=CS4

InChI

InChI=1S/C22H19N3O5S2/c23-20(26)12-29-17-6-2-1-5-14(17)22(28)30-13-21(27)25-16(19-8-4-10-32-19)11-15(24-25)18-7-3-9-31-18/h1-10,16H,11-13H2,(H2,23,26)