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

Systemtic Name: methyl 2-[[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-8-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[3-(3-anilino-2-cyano-3-oxo-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-carbonyl]amino]-4-methyl-pentanoate 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 methyl ester IUPAC Name: methyl 2-[[3-(3-anilino-2-cyano-3-oxopropanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-8-carbonyl]amino]-4-methylpentanoate 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 methyl ester Formula: C34H31N5O5S MolecularWeight: 621.70544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)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)OC)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/C34H31N5O5S/c1-20(2)16-27(34(43)44-3)37-32(41)21-14-15-28-24(17-21)30-26(19-45-28)29(38-39(30)23-12-8-5-9-13-23)31(40)25(18-35)33(42)36-22-10-6-4-7-11-22/h4-15,17,20,25,27H,16,19H2,1-3H3,(H,36,42)(H,37,41)