3-[7-chloranyl-5-(2-chlorophenyl)-2-oxidanylidene-1,5-dihydro-4,1-benzoxazepin-3-yl]-4-phenyl-2-sulfanyl-butanoic acid

Systemtic Name: 3-[7-chloranyl-5-(2-chlorophenyl)-2-oxidanylidene-1,5-dihydro-4,1-benzoxazepin-3-yl]-4-phenyl-2-sulfanyl-butanoic acid Openeye Name: 3-[7-chloro-5-(2-chlorophenyl)-2-oxo-1,5-dihydro-4,1-benzoxazepin-3-yl]-4-phenyl-2-sulfanyl-butanoic acid CAS Name: 3-[7-chloro-5-(2-chlorophenyl)-2-oxo-1,5-dihydro-4,1-benzoxazepin-3-yl]-2-mercapto-4-phenylbutanoic acid IUPAC Name: 3-[7-chloro-5-(2-chlorophenyl)-2-oxo-1,5-dihydro-4,1-benzoxazepin-3-yl]-4-phenyl-2-sulfanylbutanoic acid Traditional Name: 3-[7-chloro-5-(2-chlorophenyl)-2-keto-1,5-dihydro-4,1-benzoxazepin-3-yl]-2-mercapto-4-phenyl-butyric acid Formula: C25H21Cl2NO4S MolecularWeight: 502.40954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2C(=O)NC3=C(C=C(C=C3)Cl)C(O2)C4=CC=CC=C4Cl)C(C(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)CC(C2C(=O)NC3=C(C=C(C=C3)Cl)C(O2)C4=CC=CC=C4Cl)C(C(=O)O)S

InChI

InChI=1S/C25H21Cl2NO4S/c26-15-10-11-20-17(13-15)21(16-8-4-5-9-19(16)27)32-22(24(29)28-20)18(23(33)25(30)31)12-14-6-2-1-3-7-14/h1-11,13,18,21-23,33H,12H2,(H,28,29)(H,30,31)