N-[1-(4-methylsulfanylphenyl)ethyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[1-(4-methylsulfanylphenyl)ethyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[1-(4-methylsulfanylphenyl)ethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[1-[4-(methylthio)phenyl]ethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[1-(4-methylsulfanylphenyl)ethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-[1-[4-(methylthio)phenyl]ethyl]acetamide Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5S/c1-12(13-3-6-15(28-2)7-4-13)20-18(23)10-21-16-9-14(22(25)26)5-8-17(16)27-11-19(21)24/h3-9,12H,10-11H2,1-2H3,(H,20,23)