4-[2-[(11-oxidanylidene-6H-benzo[c][1]benzoxepin-2-yl)carbonylamino]phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-[(11-oxidanylidene-6H-benzo[c][1]benzoxepin-2-yl)carbonylamino]phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-[(11-oxo-6H-benzo[c][1]benzoxepine-2-carbonyl)amino]phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[[oxo-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)methyl]amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-[(11-oxo-6H-benzo[c][1]benzoxepine-2-carbonyl)amino]phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-[(11-keto-6H-benzo[c][1]benzoxepin-2-carbonyl)amino]phenyl]thio]butyric acid Formula: C25H21NO5S MolecularWeight: 447.50294

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)C3=C(O1)C=CC(=C3)C(=O)NC4=CC=CC=C4SCCCC(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C(=O)C3=C(O1)C=CC(=C3)C(=O)NC4=CC=CC=C4SCCCC(=O)O

InChI

InChI=1S/C25H21NO5S/c27-23(28)10-5-13-32-22-9-4-3-8-20(22)26-25(30)16-11-12-21-19(14-16)24(29)18-7-2-1-6-17(18)15-31-21/h1-4,6-9,11-12,14H,5,10,13,15H2,(H,26,30)(H,27,28)