2-(2-azanyl-1,3-thiazol-4-yl)ethyl 2-(2-methyl-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl)ethaneperoxoate

Systemtic Name: 2-(2-azanyl-1,3-thiazol-4-yl)ethyl 2-(2-methyl-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-4-yl)ethaneperoxoate Openeye Name: 2-(2-aminothiazol-4-yl)ethyl 2-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)peroxyacetate CAS Name: 2-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)ethaneperoxoic acid 2-(2-amino-4-thiazolyl)ethyl ester IUPAC Name: 2-(2-amino-1,3-thiazol-4-yl)ethyl 2-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)ethaneperoxoate Traditional Name: 2-(3-keto-2-methyl-4,5-dihydro-1H-2-benzazepin-4-yl)peracetic acid 2-(2-aminothiazol-4-yl)ethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=CC=CC=C2CC(C1=O)CC(=O)OOCCC3=CSC(=N3)N

Isomeric SMILES

CN1CC2=CC=CC=C2CC(C1=O)CC(=O)OOCCC3=CSC(=N3)N

InChI

InChI=1S/C18H21N3O4S/c1-21-10-13-5-3-2-4-12(13)8-14(17(21)23)9-16(22)25-24-7-6-15-11-26-18(19)20-15/h2-5,11,14H,6-10H2,1H3,(H2,19,20)