2-[[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-6-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-6-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-(3-anilino-2-cyano-3-oxo-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[3-(3-anilino-2-cyano-1,3-dioxopropyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-6-yl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-(3-anilino-2-cyano-3-oxopropanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-(3-anilino-2-cyano-3-keto-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carbonyl]amino]-3-phenyl-propionic acid Formula: C36H27N5O5S MolecularWeight: 641.69508

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C3=C(S1)C(=CC=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)O)N(N=C2C(=O)C(C#N)C(=O)NC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C2=C(C3=C(S1)C(=CC=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)O)N(N=C2C(=O)C(C#N)C(=O)NC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H27N5O5S/c37-20-27(35(44)38-23-13-6-2-7-14-23)32(42)30-28-21-47-33-25(31(28)41(40-30)24-15-8-3-9-16-24)17-10-18-26(33)34(43)39-29(36(45)46)19-22-11-4-1-5-12-22/h1-18,27,29H,19,21H2,(H,38,44)(H,39,43)(H,45,46)