5-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3S)-3-(2-furyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3S)-3-(2-furanyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5S)-5-(2-furyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-5-keto-valerate Formula: C16H15N2O4S- MolecularWeight: 331.3663

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)CCCC(=O)[O-])C3=CC=CO3

Isomeric SMILES

C1[C@H](N(N=C1C2=CC=CS2)C(=O)CCCC(=O)[O-])C3=CC=CO3

InChI

InChI=1S/C16H16N2O4S/c19-15(6-1-7-16(20)21)18-12(13-4-2-8-22-13)10-11(17-18)14-5-3-9-23-14/h2-5,8-9,12H,1,6-7,10H2,(H,20,21)/p-1/t12-/m0/s1