[(3-phenyl-2-sulfanyl-propanoyl)amino] 2-(2-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoate

Systemtic Name: [(3-phenyl-2-sulfanyl-propanoyl)amino] 2-(2-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoate Openeye Name: [(3-phenyl-2-sulfanyl-propanoyl)amino] 2-(2-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate CAS Name: 2-(2-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetic acid [(2-mercapto-1-oxo-3-phenylpropyl)amino] ester IUPAC Name: [(3-phenyl-2-sulfanylpropanoyl)amino] 2-(2-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate Traditional Name: 2-(4-keto-2-methyl-2,3-dihydro-1,5-benzoxazepin-5-yl)acetic acid [(2-mercapto-3-phenyl-propanoyl)amino] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(C2=CC=CC=C2O1)CC(=O)ONC(=O)C(CC3=CC=CC=C3)S

Isomeric SMILES

CC1CC(=O)N(C2=CC=CC=C2O1)CC(=O)ONC(=O)C(CC3=CC=CC=C3)S

InChI

InChI=1S/C21H22N2O5S/c1-14-11-19(24)23(16-9-5-6-10-17(16)27-14)13-20(25)28-22-21(26)18(29)12-15-7-3-2-4-8-15/h2-10,14,18,29H,11-13H2,1H3,(H,22,26)