2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoyloxyamino]-4-(thian-4-yl)butanoic acid

Systemtic Name: 2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoyloxyamino]-4-(thian-4-yl)butanoic acid Openeye Name: 2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]-4-tetrahydrothiopyran-4-yl-butanoic acid CAS Name: 2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)ethoxy]amino]-4-(4-thianyl)butanoic acid IUPAC Name: 2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]-4-(thian-4-yl)butanoic acid Traditional Name: 2-[[2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]-4-tetrahydrothiopyran-4-yl-butyric acid Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1CCC(C(=O)O)NOC(=O)CN2C(=O)CCOC3=CC=CC=C32

Isomeric SMILES

C1CSCCC1CCC(C(=O)O)NOC(=O)CN2C(=O)CCOC3=CC=CC=C32

InChI

InChI=1S/C20H26N2O6S/c23-18-7-10-27-17-4-2-1-3-16(17)22(18)13-19(24)28-21-15(20(25)26)6-5-14-8-11-29-12-9-14/h1-4,14-15,21H,5-13H2,(H,25,26)