2-[[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-6-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-6-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[3-(3-anilino-2-cyano-3-oxo-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carbonyl]amino]acetic acid CAS Name: 2-[[[3-(3-anilino-2-cyano-1,3-dioxopropyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazol-6-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3-(3-anilino-2-cyano-3-oxopropanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carbonyl]amino]acetic acid Traditional Name: 2-[[3-(3-anilino-2-cyano-3-keto-propanoyl)-1-phenyl-4H-thiochromeno[4,3-c]pyrazole-6-carbonyl]amino]acetic acid Formula: C29H21N5O5S MolecularWeight: 551.57254

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H21N5O5S/c30-14-21(29(39)32-17-8-3-1-4-9-17)26(37)24-22-16-40-27-19(12-7-13-20(27)28(38)31-15-23(35)36)25(22)34(33-24)18-10-5-2-6-11-18/h1-13,21H,15-16H2,(H,31,38)(H,32,39)(H,35,36)