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

Systemtic Name: ethyl 1-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]isonipecotic acid ethyl ester Formula: C21H25N3O3S2 MolecularWeight: 431.5715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C21H25N3O3S2/c1-2-27-21(26)15-7-9-23(10-8-15)14-20(25)24-17(19-6-4-12-29-19)13-16(22-24)18-5-3-11-28-18/h3-6,11-12,15,17H,2,7-10,13-14H2,1H3