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

Systemtic Name: 2-[[2-cyano-3-oxidanylidene-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-cyano-3-oxo-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-cyano-1,3-dioxo-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-cyano-3-oxo-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-cyano-3-keto-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoyl]amino]-3-phenyl-propionic acid Formula: C29H22N4O4S MolecularWeight: 522.57438

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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)NC(CC4=CC=CC=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1C2=C(C3=CC=CC=C3S1)N(N=C2C(=O)C(C#N)C(=O)NC(CC4=CC=CC=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C29H22N4O4S/c30-16-21(28(35)31-23(29(36)37)15-18-9-3-1-4-10-18)27(34)25-22-17-38-24-14-8-7-13-20(24)26(22)33(32-25)19-11-5-2-6-12-19/h1-14,21,23H,15,17H2,(H,31,35)(H,36,37)