2-[[2-cyano-3-oxidanylidene-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-cyano-3-oxidanylidene-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-cyano-3-oxo-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoyl]amino]acetic acid CAS Name: 2-[[2-cyano-1,3-dioxo-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propyl]amino]acetic acid IUPAC Name: 2-[[2-cyano-3-oxo-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoyl]amino]acetic acid Traditional Name: 2-[[2-cyano-3-keto-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoyl]amino]acetic acid Formula: C22H16N4O4S MolecularWeight: 432.45184

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C3=CC=CC=C3S1)N(N=C2C(=O)C(C#N)C(=O)NCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1C2=C(C3=CC=CC=C3S1)N(N=C2C(=O)C(C#N)C(=O)NCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C22H16N4O4S/c23-10-15(22(30)24-11-18(27)28)21(29)19-16-12-31-17-9-5-4-8-14(17)20(16)26(25-19)13-6-2-1-3-7-13/h1-9,15H,11-12H2,(H,24,30)(H,27,28)