methyl 3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-carboxylate

Systemtic Name: methyl 3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-carboxylate Openeye Name: methyl 3-(3-anilino-2-cyano-3-oxo-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-carboxylate CAS Name: 3-(3-anilino-2-cyano-1,3-dioxopropyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-anilino-2-cyano-3-oxopropanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-carboxylate Traditional Name: 3-(3-anilino-2-cyano-3-keto-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-carboxylic acid methyl ester Formula: C28H20N4O4S MolecularWeight: 508.5478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=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

COC(=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/C28H20N4O4S/c1-36-28(35)17-12-13-23-20(14-17)25-22(16-37-23)24(31-32(25)19-10-6-3-7-11-19)26(33)21(15-29)27(34)30-18-8-4-2-5-9-18/h2-14,21H,16H2,1H3,(H,30,34)