5-[(2-methylsulfanylphenoxy)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[(2-methylsulfanylphenoxy)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[(2-methylsulfanylphenoxy)methyl]-N-[(3S)-2-oxoazepan-3-yl]isoxazole-3-carboxamide CAS Name: 5-[[2-(methylthio)phenoxy]methyl]-N-[(3S)-2-oxo-3-azepanyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(2-methylsulfanylphenoxy)methyl]-N-[(3S)-2-oxoazepan-3-yl]-1,2-oxazole-3-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-5-[[2-(methylthio)phenoxy]methyl]isoxazole-3-carboxamide Formula: C18H21N3O4S MolecularWeight: 375.44204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)NC3CCCCNC3=O

Isomeric SMILES

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)N[C@H]3CCCCNC3=O

InChI

InChI=1S/C18H21N3O4S/c1-26-16-8-3-2-7-15(16)24-11-12-10-14(21-25-12)18(23)20-13-6-4-5-9-19-17(13)22/h2-3,7-8,10,13H,4-6,9,11H2,1H3,(H,19,22)(H,20,23)/t13-/m0/s1