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

Systemtic Name: 2-[[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-6-yl]carbonylamino]propanoic acid Openeye Name: 2-[[3-(3-anilino-2-cyano-3-oxo-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carbonyl]amino]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]propanoic acid IUPAC Name: 2-[[3-(3-anilino-2-cyano-3-oxopropanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carbonyl]amino]propanoic acid Traditional Name: 2-[[3-(3-anilino-2-cyano-3-keto-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carbonyl]amino]propionic acid Formula: C30H23N5O5S MolecularWeight: 565.59912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=CC=CC2=C1SCC3=C2N(N=C3C(=O)C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)O)NC(=O)C1=CC=CC2=C1SCC3=C2N(N=C3C(=O)C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H23N5O5S/c1-17(30(39)40)32-28(37)21-14-8-13-20-25-23(16-41-27(20)21)24(34-35(25)19-11-6-3-7-12-19)26(36)22(15-31)29(38)33-18-9-4-2-5-10-18/h2-14,17,22H,16H2,1H3,(H,32,37)(H,33,38)(H,39,40)