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

Systemtic Name: ethyl 3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-(4-fluorophenyl)-4H-thiochromeno[4,3-c]pyrazole-6-carboxylate Openeye Name: ethyl 3-(3-anilino-2-cyano-3-oxo-propanoyl)-1-(4-fluorophenyl)-4H-thiochromeno[4,3-c]pyrazole-6-carboxylate CAS Name: 3-(3-anilino-2-cyano-1,3-dioxopropyl)-1-(4-fluorophenyl)-4H-thiochromeno[4,3-c]pyrazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-anilino-2-cyano-3-oxopropanoyl)-1-(4-fluorophenyl)-4H-thiochromeno[4,3-c]pyrazole-6-carboxylate Traditional Name: 3-(3-anilino-2-cyano-3-keto-propanoyl)-1-(4-fluorophenyl)-4H-thiochromeno[4,3-c]pyrazole-6-carboxylic acid ethyl ester Formula: C29H21FN4O4S MolecularWeight: 540.564843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC2=C1SCC3=C2N(N=C3C(=O)C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1=CC=CC2=C1SCC3=C2N(N=C3C(=O)C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H21FN4O4S/c1-2-38-29(37)21-10-6-9-20-25-23(16-39-27(20)21)24(33-34(25)19-13-11-17(30)12-14-19)26(35)22(15-31)28(36)32-18-7-4-3-5-8-18/h3-14,22H,2,16H2,1H3,(H,32,36)