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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=S)C(=O)NOC(=O)CN1C(=O)CCOC2=CC=CC=C21

Isomeric SMILES

CCC(C)C(=S)C(=O)NOC(=O)CN1C(=O)CCOC2=CC=CC=C21

InChI

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