[(3S)-3-cyano-4-oxidanylidene-5-(2-phenyl-5-thiophen-2-yl-pyrazol-3-yl)carbonyloxy-pent-1-en-2-yl]azanium

Systemtic Name: [(3S)-3-cyano-4-oxidanylidene-5-(2-phenyl-5-thiophen-2-yl-pyrazol-3-yl)carbonyloxy-pent-1-en-2-yl]azanium Openeye Name: [(2S)-2-cyano-1-methylene-3-oxo-4-[2-phenyl-5-(2-thienyl)pyrazole-3-carbonyl]oxy-butyl]ammonium CAS Name: [(3S)-3-cyano-4-oxo-5-[oxo-(2-phenyl-5-thiophen-2-yl-3-pyrazolyl)methoxy]pent-1-en-2-yl]ammonium IUPAC Name: [(3S)-3-cyano-4-oxo-5-(2-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)oxypent-1-en-2-yl]azanium Traditional Name: 1-[(1S)-1-cyano-2-keto-3-[2-phenyl-5-(2-thienyl)pyrazole-3-carbonyl]oxy-propyl]vinylammonium Formula: C20H17N4O3S+ MolecularWeight: 393.43898

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CS3)[NH3+]

Isomeric SMILES

C=C([C@@H](C#N)C(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CS3)[NH3+]

InChI

InChI=1S/C20H16N4O3S/c1-13(22)15(11-21)18(25)12-27-20(26)17-10-16(19-8-5-9-28-19)23-24(17)14-6-3-2-4-7-14/h2-10,15H,1,12,22H2/p+1/t15-/m1/s1