methyl 2-[[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-8-yl]carbonylamino]propanoate

Systemtic Name: methyl 2-[[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-8-yl]carbonylamino]propanoate Openeye Name: methyl 2-[[3-(3-anilino-2-cyano-3-oxo-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-carbonyl]amino]propanoate CAS Name: 2-[[[3-(3-anilino-2-cyano-1,3-dioxopropyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-8-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-8-carbonyl]amino]propanoate Traditional Name: 2-[[3-(3-anilino-2-cyano-3-keto-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-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=CC2=C(C=C1)SCC3=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=CC2=C(C=C1)SCC3=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)19-13-14-25-22(15-19)27-24(17-42-25)26(35-36(27)21-11-7-4-8-12-21)28(37)23(16-32)30(39)34-20-9-5-3-6-10-20/h3-15,18,23H,17H2,1-2H3,(H,33,38)(H,34,39)