4-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[(3S)-5-(2-furyl)-3-(2-thienyl)-1,3-dihydropyrazol-2-yl]-4-oxo-but-2-enoic acid CAS Name: 4-[(3S)-5-(2-furanyl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-4-oxo-2-butenoic acid IUPAC Name: 4-[(3S)-5-(furan-2-yl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-4-oxobut-2-enoic acid Traditional Name: 4-[(5S)-3-(2-furyl)-5-(2-thienyl)-3-pyrazolin-1-yl]-4-keto-but-2-enoic acid Formula: C15H12N2O4S MolecularWeight: 316.33178

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=CC(N(N2)C(=O)C=CC(=O)O)C3=CC=CS3

Isomeric SMILES

C1=COC(=C1)C2=C[C@H](N(N2)C(=O)C=CC(=O)O)C3=CC=CS3

InChI

InChI=1S/C15H12N2O4S/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/h1-9,11,16H,(H,19,20)/t11-/m0/s1