[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] (E)-but-2-enoate

Systemtic Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] (E)-but-2-enoate Openeye Name: [2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic 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] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=CS3

Isomeric SMILES

C/C=C/C(=O)OCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=CS3

InChI

InChI=1S/C17H16N2O3S2/c1-2-5-17(21)22-11-16(20)19-13(15-7-4-9-24-15)10-12(18-19)14-6-3-8-23-14/h2-9,13H,10-11H2,1H3/b5-2+