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

Systemtic Name: methyl 2-[[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-6-yl]carbonylamino]propanoate Openeye Name: methyl 2-[[3-(3-anilino-2-cyano-3-oxo-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carbonyl]amino]propanoate 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 methyl ester IUPAC Name: methyl 2-[[3-(3-anilino-2-cyano-3-oxopropanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carbonyl]amino]propanoate Traditional Name: 2-[[3-(3-anilino-2-cyano-3-keto-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carbonyl]amino]propionic acid methyl ester Formula: C31H25N5O5S MolecularWeight: 579.6257

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)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)OC)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/C31H25N5O5S/c1-18(31(40)41-2)33-29(38)22-15-9-14-21-26-24(17-42-28(21)22)25(35-36(26)20-12-7-4-8-13-20)27(37)23(16-32)30(39)34-19-10-5-3-6-11-19/h3-15,18,23H,17H2,1-2H3,(H,33,38)(H,34,39)