azanyl 2-[3-(4-methyl-2-sulfanyl-pentanoyl)-2-oxidanylidene-5H-1-benzazepin-1-yl]ethanoate

Systemtic Name: azanyl 2-[3-(4-methyl-2-sulfanyl-pentanoyl)-2-oxidanylidene-5H-1-benzazepin-1-yl]ethanoate Openeye Name: amino 2-[3-(4-methyl-2-sulfanyl-pentanoyl)-2-oxo-5H-1-benzazepin-1-yl]acetate CAS Name: 2-[3-(2-mercapto-4-methyl-1-oxopentyl)-2-oxo-5H-1-benzazepin-1-yl]acetic acid amino ester IUPAC Name: amino 2-[3-(4-methyl-2-sulfanylpentanoyl)-2-oxo-5H-1-benzazepin-1-yl]acetate Traditional Name: 2-[2-keto-3-(2-mercapto-4-methyl-pentanoyl)-5H-1-benzazepin-1-yl]acetic acid amino ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1=CCC2=CC=CC=C2N(C1=O)CC(=O)ON)S

Isomeric SMILES

CC(C)CC(C(=O)C1=CCC2=CC=CC=C2N(C1=O)CC(=O)ON)S

InChI

InChI=1S/C18H22N2O4S/c1-11(2)9-15(25)17(22)13-8-7-12-5-3-4-6-14(12)20(18(13)23)10-16(21)24-19/h3-6,8,11,15,25H,7,9-10,19H2,1-2H3