4-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C15H13N2O3S2- MolecularWeight: 333.40532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O3S2/c18-14(5-6-15(19)20)17-11(13-4-2-8-22-13)9-10(16-17)12-3-1-7-21-12/h1-4,7-8,11H,5-6,9H2,(H,19,20)/p-1/t11-/m0/s1