5-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5R)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-5-keto-valerate Formula: C16H15N2O3S2- MolecularWeight: 347.4319

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)CCCC(=O)[O-])C3=CC=CS3

Isomeric SMILES

C1[C@@H](N(N=C1C2=CC=CS2)C(=O)CCCC(=O)[O-])C3=CC=CS3

InChI

InChI=1S/C16H16N2O3S2/c19-15(6-1-7-16(20)21)18-12(14-5-3-9-23-14)10-11(17-18)13-4-2-8-22-13/h2-5,8-9,12H,1,6-7,10H2,(H,20,21)/p-1/t12-/m1/s1