2-[4-[2-[2-ethyl-3,5-bis(oxidanyl)-6-thiophen-3-ylcarbonyl-phenyl]ethanoyl]-2-oxidanylidene-piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-[2-[2-ethyl-3,5-bis(oxidanyl)-6-thiophen-3-ylcarbonyl-phenyl]ethanoyl]-2-oxidanylidene-piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[2-[2-ethyl-3,5-dihydroxy-6-(thiophene-3-carbonyl)phenyl]acetyl]-2-oxo-piperazin-1-yl]benzonitrile CAS Name: 2-[4-[2-[2-ethyl-3,5-dihydroxy-6-[oxo(3-thiophenyl)methyl]phenyl]-1-oxoethyl]-2-oxo-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-[2-[2-ethyl-3,5-dihydroxy-6-(thiophene-3-carbonyl)phenyl]acetyl]-2-oxopiperazin-1-yl]benzonitrile Traditional Name: 2-[4-[2-[2-ethyl-3,5-dihydroxy-6-(3-thenoyl)phenyl]acetyl]-2-keto-piperazino]benzonitrile Formula: C26H23N3O5S MolecularWeight: 489.54292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1CC(=O)N2CCN(C(=O)C2)C3=CC=CC=C3C#N)C(=O)C4=CSC=C4)O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1CC(=O)N2CCN(C(=O)C2)C3=CC=CC=C3C#N)C(=O)C4=CSC=C4)O)O

InChI

InChI=1S/C26H23N3O5S/c1-2-18-19(25(22(31)12-21(18)30)26(34)17-7-10-35-15-17)11-23(32)28-8-9-29(24(33)14-28)20-6-4-3-5-16(20)13-27/h3-7,10,12,15,30-31H,2,8-9,11,14H2,1H3