azanyl 2-[2-(3-methyl-2-sulfanylidene-pentanoyl)-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl]ethanoate

Systemtic Name: azanyl 2-[2-(3-methyl-2-sulfanylidene-pentanoyl)-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl]ethanoate Openeye Name: amino 2-[2-(3-methyl-2-thioxo-pentanoyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl]acetate CAS Name: 2-[2-(3-methyl-1-oxo-2-sulfanylidenepentyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl]acetic acid amino ester IUPAC Name: amino 2-[2-(3-methyl-2-sulfanylidenepentanoyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl]acetate Traditional Name: 2-[4-keto-2-(3-methyl-2-thioxo-pentanoyl)-2,3-dihydro-1,5-benzoxazepin-5-yl]acetic acid amino ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=S)C(=O)C1CC(=O)N(C2=CC=CC=C2O1)CC(=O)ON

Isomeric SMILES

CCC(C)C(=S)C(=O)C1CC(=O)N(C2=CC=CC=C2O1)CC(=O)ON

InChI

InChI=1S/C17H20N2O5S/c1-3-10(2)17(25)16(22)13-8-14(20)19(9-15(21)24-18)11-6-4-5-7-12(11)23-13/h4-7,10,13H,3,8-9,18H2,1-2H3