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

Systemtic Name: 2-[[2-cyano-3-oxidanylidene-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoyl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-cyano-3-oxo-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-cyano-1,3-dioxo-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-cyano-3-oxo-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-cyano-3-keto-3-(1-phenyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)propanoyl]amino]-3-methyl-valeric acid Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(C#N)C(=O)C1=NN(C2=C1CSC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C(C#N)C(=O)C1=NN(C2=C1CSC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C26H24N4O4S/c1-3-15(2)21(26(33)34)28-25(32)18(13-27)24(31)22-19-14-35-20-12-8-7-11-17(20)23(19)30(29-22)16-9-5-4-6-10-16/h4-12,15,18,21H,3,14H2,1-2H3,(H,28,32)(H,33,34)