[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 2-[(3-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 2-[(3-nitrophenyl)carbonylamino]ethanoate Openeye Name: [2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-[(3-nitrobenzoyl)amino]acetate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]acetic 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-[(3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-nitrobenzoyl)amino]acetic acid [2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C22H18N4O6S2 MolecularWeight: 498.53152

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)COC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1C(N(N=C1C2=CC=CS2)C(=O)COC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C22H18N4O6S2/c27-20(13-32-21(28)12-23-22(29)14-4-1-5-15(10-14)26(30)31)25-17(19-7-3-9-34-19)11-16(24-25)18-6-2-8-33-18/h1-10,17H,11-13H2,(H,23,29)