[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic 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] 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C18H14ClN3O3S2 MolecularWeight: 419.90506

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)COC(=O)C3=CC(=CN3)Cl)C4=CC=CS4

Isomeric SMILES

C1C(N(N=C1C2=CC=CS2)C(=O)COC(=O)C3=CC(=CN3)Cl)C4=CC=CS4

InChI

InChI=1S/C18H14ClN3O3S2/c19-11-7-13(20-9-11)18(24)25-10-17(23)22-14(16-4-2-6-27-16)8-12(21-22)15-3-1-5-26-15/h1-7,9,14,20H,8,10H2