[2-oxidanylidene-2-(2-thiophen-2-ylcarbonylhydrazinyl)ethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylcarbonylhydrazinyl)ethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazino]ethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]hydrazo]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid [2-keto-2-[N'-(2-thenoyl)hydrazino]ethyl] ester Formula: C22H25N3O6S2 MolecularWeight: 491.5804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC(=O)NNC(=O)C3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OCC(=O)NNC(=O)C3=CC=CS3

InChI

InChI=1S/C22H25N3O6S2/c26-20(23-24-22(28)19-6-5-15-32-19)16-31-21(27)12-9-17-7-10-18(11-8-17)33(29,30)25-13-3-1-2-4-14-25/h5-12,15H,1-4,13-14,16H2,(H,23,26)(H,24,28)/b12-9+