methyl 2-[[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-6-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-6-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-6-carbonyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[3-(3-anilino-2-cyano-1,3-dioxopropyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-6-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-6-carbonyl]amino]-4-methylpentanoate Traditional Name: 2-[[3-(3-anilino-2-cyano-3-keto-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-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=CC=CC2=C1SCC3=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=CC=CC2=C1SCC3=C2N(N=C3C(=O)C(C#N)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5

InChI

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