N-[[(5S)-3-(4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-9-yl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanethioamide

Systemtic Name: N-[[(5S)-3-(4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-9-yl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanethioamide Openeye Name: N-[[(5S)-3-(4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-9-yl)-2-oxo-oxazolidin-5-yl]methyl]thioacetamide CAS Name: N-[[(5S)-3-(4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-9-yl)-2-oxo-5-oxazolidinyl]methyl]ethanethioamide IUPAC Name: N-[[(5S)-3-(4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-9-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide Traditional Name: N-[[(5S)-3-(4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-9-yl)-2-keto-oxazolidin-5-yl]methyl]thioacetamide Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NCC1CN(C(=O)O1)C2=CC3=C(COCC4=CC=CN43)C=C2

Isomeric SMILES

CC(=S)NC[C@H]1CN(C(=O)O1)C2=CC3=C(COCC4=CC=CN43)C=C2

InChI

InChI=1S/C18H19N3O3S/c1-12(25)19-8-16-9-21(18(22)24-16)14-5-4-13-10-23-11-15-3-2-6-20(15)17(13)7-14/h2-7,16H,8-11H2,1H3,(H,19,25)/t16-/m0/s1