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

Systemtic Name: 4-oxidanylidene-4-[(3S)-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]butanoate Openeye Name: 4-oxo-4-[(3S)-5-phenyl-3-(2-thienyl)-3,4-dihydropyrazol-2-yl]butanoate CAS Name: 4-oxo-4-[(3S)-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]butanoate IUPAC Name: 4-oxo-4-[(3S)-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]butanoate Traditional Name: 4-keto-4-[(5S)-3-phenyl-5-(2-thienyl)-2-pyrazolin-1-yl]butyrate Formula: C17H15N2O3S- MolecularWeight: 327.3776

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=C2)C(=O)CCC(=O)[O-])C3=CC=CS3

Isomeric SMILES

C1[C@H](N(N=C1C2=CC=CC=C2)C(=O)CCC(=O)[O-])C3=CC=CS3

InChI

InChI=1S/C17H16N2O3S/c20-16(8-9-17(21)22)19-14(15-7-4-10-23-15)11-13(18-19)12-5-2-1-3-6-12/h1-7,10,14H,8-9,11H2,(H,21,22)/p-1/t14-/m0/s1