4-[[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-6-yl]methoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-6-yl]methoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-(3-anilino-2-cyano-3-oxo-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-6-yl]methoxy]-4-oxo-butanoic acid CAS Name: 4-[[3-(3-anilino-2-cyano-1,3-dioxopropyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-6-yl]methoxy]-4-oxobutanoic acid IUPAC Name: 4-[[3-(3-anilino-2-cyano-3-oxopropanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-6-yl]methoxy]-4-oxobutanoic acid Traditional Name: 4-[[3-(3-anilino-2-cyano-3-keto-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-6-yl]methoxy]-4-keto-butyric acid Formula: C31H24N4O6S MolecularWeight: 580.61046

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C3=C(S1)C(=CC=C3)COC(=O)CCC(=O)O)N(N=C2C(=O)C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2=C(C3=C(S1)C(=CC=C3)COC(=O)CCC(=O)O)N(N=C2C(=O)C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H24N4O6S/c32-16-23(31(40)33-20-9-3-1-4-10-20)29(39)27-24-18-42-30-19(17-41-26(38)15-14-25(36)37)8-7-13-22(30)28(24)35(34-27)21-11-5-2-6-12-21/h1-13,23H,14-15,17-18H2,(H,33,40)(H,36,37)