(2-sulfanylhexanoylamino) 2-(2-oxidanylidene-5H-1-benzazepin-1-yl)ethanoate

Systemtic Name: (2-sulfanylhexanoylamino) 2-(2-oxidanylidene-5H-1-benzazepin-1-yl)ethanoate Openeye Name: (2-sulfanylhexanoylamino) 2-(2-oxo-5H-1-benzazepin-1-yl)acetate CAS Name: 2-(2-oxo-5H-1-benzazepin-1-yl)acetic acid [(2-mercapto-1-oxohexyl)amino] ester IUPAC Name: (2-sulfanylhexanoylamino) 2-(2-oxo-5H-1-benzazepin-1-yl)acetate Traditional Name: 2-(2-keto-5H-1-benzazepin-1-yl)acetic acid (2-mercaptohexanoylamino) ester Formula: C18H22N2O4S MolecularWeight: 362.44328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NOC(=O)CN1C(=O)C=CCC2=CC=CC=C21)S

Isomeric SMILES

CCCCC(C(=O)NOC(=O)CN1C(=O)C=CCC2=CC=CC=C21)S

InChI

InChI=1S/C18H22N2O4S/c1-2-3-10-15(25)18(23)19-24-17(22)12-20-14-9-5-4-7-13(14)8-6-11-16(20)21/h4-7,9,11,15,25H,2-3,8,10,12H2,1H3,(H,19,23)