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

Systemtic Name: 2-[[2-cyano-3-oxidanylidene-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoyl]-phenyl-amino]ethanoic acid Openeye Name: 2-(N-[2-cyano-3-oxo-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoyl]anilino)acetic acid CAS Name: 2-(N-[2-cyano-1,3-dioxo-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propyl]anilino)acetic acid IUPAC Name: 2-(N-[2-cyano-3-oxo-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoyl]anilino)acetic acid Traditional Name: 2-(N-[2-cyano-3-keto-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoyl]anilino)acetic acid Formula: C28H20N4O4S MolecularWeight: 508.5478

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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)N(CC(=O)O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2=C(C3=CC=CC=C3S1)N(N=C2C(=O)C(C#N)C(=O)N(CC(=O)O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H20N4O4S/c29-15-21(28(36)31(16-24(33)34)18-9-3-1-4-10-18)27(35)25-22-17-37-23-14-8-7-13-20(23)26(22)32(30-25)19-11-5-2-6-12-19/h1-14,21H,16-17H2,(H,33,34)