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

Systemtic Name: 2-cyano-3-oxidanylidene-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoic acid Openeye Name: 2-cyano-3-oxo-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoic acid CAS Name: 2-cyano-3-oxo-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoic acid IUPAC Name: 2-cyano-3-oxo-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoic acid Traditional Name: 2-cyano-3-keto-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propionic acid Formula: C20H13N3O3S MolecularWeight: 375.40052

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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)O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H13N3O3S/c21-10-14(20(25)26)19(24)17-15-11-27-16-9-5-4-8-13(16)18(15)23(22-17)12-6-2-1-3-7-12/h1-9,14H,11H2,(H,25,26)