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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N(C1=O)CCC(=O)ONC(=O)C(CC3=CC=CC=C3)S

Isomeric SMILES

C1COC2=CC=CC=C2N(C1=O)CCC(=O)ONC(=O)C(CC3=CC=CC=C3)S

InChI

InChI=1S/C21H22N2O5S/c24-19-11-13-27-17-9-5-4-8-16(17)23(19)12-10-20(25)28-22-21(26)18(29)14-15-6-2-1-3-7-15/h1-9,18,29H,10-14H2,(H,22,26)