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

Systemtic Name: methyl 2-[[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-6-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[3-(3-anilino-2-cyano-3-oxo-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carbonyl]amino]-3-phenyl-propanoate 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 methyl ester IUPAC Name: methyl 2-[[3-(3-anilino-2-cyano-3-oxopropanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carbonyl]amino]-3-phenylpropanoate 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 methyl ester Formula: C37H29N5O5S MolecularWeight: 655.72166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC3=C2SCC4=C3N(N=C4C(=O)C(C#N)C(=O)NC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC3=C2SCC4=C3N(N=C4C(=O)C(C#N)C(=O)NC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C37H29N5O5S/c1-47-37(46)30(20-23-12-5-2-6-13-23)40-35(44)27-19-11-18-26-32-29(22-48-34(26)27)31(41-42(32)25-16-9-4-10-17-25)33(43)28(21-38)36(45)39-24-14-7-3-8-15-24/h2-19,28,30H,20,22H2,1H3,(H,39,45)(H,40,44)