tert-butyl 3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carboxylate

Systemtic Name: tert-butyl 3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carboxylate Openeye Name: tert-butyl 3-(3-anilino-2-cyano-3-oxo-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carboxylate CAS Name: 3-(3-anilino-2-cyano-1,3-dioxopropyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-anilino-2-cyano-3-oxopropanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carboxylate Traditional Name: 3-(3-anilino-2-cyano-3-keto-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carboxylic acid tert-butyl ester Formula: C31H26N4O4S MolecularWeight: 550.62754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=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)(C)OC(=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/C31H26N4O4S/c1-31(2,3)39-30(38)22-16-10-15-21-26-24(18-40-28(21)22)25(34-35(26)20-13-8-5-9-14-20)27(36)23(17-32)29(37)33-19-11-6-4-7-12-19/h4-16,23H,18H2,1-3H3,(H,33,37)