4-[[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-8-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-8-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-(3-anilino-2-cyano-3-oxo-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-8-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-(3-anilino-2-cyano-1,3-dioxopropyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-8-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-(3-anilino-2-cyano-3-oxopropanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-8-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-(3-anilino-2-cyano-3-keto-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-8-yl]amino]-4-keto-butyric acid Formula: C30H23N5O5S MolecularWeight: 565.59912

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H23N5O5S/c31-16-22(30(40)33-18-7-3-1-4-8-18)29(39)27-23-17-41-24-12-11-19(32-25(36)13-14-26(37)38)15-21(24)28(23)35(34-27)20-9-5-2-6-10-20/h1-12,15,22H,13-14,17H2,(H,32,36)(H,33,40)(H,37,38)