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

Systemtic Name: 4-[2-[(11-methylidene-6H-benzo[c][1]benzoxepin-2-yl)carbonylamino]phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-[(11-methylene-6H-benzo[c][1]benzoxepine-2-carbonyl)amino]phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[[(11-methylene-6H-benzo[c][1]benzoxepin-2-yl)-oxomethyl]amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-[(11-methylidene-6H-benzo[c][1]benzoxepine-2-carbonyl)amino]phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-[(11-methylene-6H-benzo[c][1]benzoxepin-2-carbonyl)amino]phenyl]thio]butyric acid Formula: C26H23NO4S MolecularWeight: 445.53012

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2COC3=C1C=C(C=C3)C(=O)NC4=CC=CC=C4SCCCC(=O)O

Isomeric SMILES

C=C1C2=CC=CC=C2COC3=C1C=C(C=C3)C(=O)NC4=CC=CC=C4SCCCC(=O)O

InChI

InChI=1S/C26H23NO4S/c1-17-20-8-3-2-7-19(20)16-31-23-13-12-18(15-21(17)23)26(30)27-22-9-4-5-10-24(22)32-14-6-11-25(28)29/h2-5,7-10,12-13,15H,1,6,11,14,16H2,(H,27,30)(H,28,29)