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

Systemtic Name: 2-[[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-8-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[3-(3-anilino-2-cyano-3-oxo-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[3-(3-anilino-2-cyano-1,3-dioxopropyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-8-yl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-(3-anilino-2-cyano-3-oxopropanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-carbonyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[3-(3-anilino-2-cyano-3-keto-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-carbonyl]amino]-4-methyl-valeric acid Formula: C33H29N5O5S MolecularWeight: 607.67886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=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

CC(C)CC(C(=O)O)NC(=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/C33H29N5O5S/c1-19(2)15-26(33(42)43)36-31(40)20-13-14-27-23(16-20)29-25(18-44-27)28(37-38(29)22-11-7-4-8-12-22)30(39)24(17-34)32(41)35-21-9-5-3-6-10-21/h3-14,16,19,24,26H,15,18H2,1-2H3,(H,35,41)(H,36,40)(H,42,43)