ethyl 2-[3-[(2-ethanoylsulfanyl-3-methyl-pentanoyl)amino]-2-oxidanylidene-5H-1-benzazepin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[(2-ethanoylsulfanyl-3-methyl-pentanoyl)amino]-2-oxidanylidene-5H-1-benzazepin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[(2-acetylsulfanyl-3-methyl-pentanoyl)amino]-2-oxo-5H-1-benzazepin-1-yl]acetate CAS Name: 2-[3-[[2-(acetylthio)-3-methyl-1-oxopentyl]amino]-2-oxo-5H-1-benzazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(2-acetylsulfanyl-3-methylpentanoyl)amino]-2-oxo-5H-1-benzazepin-1-yl]acetate Traditional Name: 2-[3-[[2-(acetylthio)-3-methyl-pentanoyl]amino]-2-keto-5H-1-benzazepin-1-yl]acetic acid ethyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CCC2=CC=CC=C2N(C1=O)CC(=O)OCC)SC(=O)C

Isomeric SMILES

CCC(C)C(C(=O)NC1=CCC2=CC=CC=C2N(C1=O)CC(=O)OCC)SC(=O)C

InChI

InChI=1S/C22H28N2O5S/c1-5-14(3)20(30-15(4)25)21(27)23-17-12-11-16-9-7-8-10-18(16)24(22(17)28)13-19(26)29-6-2/h7-10,12,14,20H,5-6,11,13H2,1-4H3,(H,23,27)