N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[2-[(5-bromo-2-thienyl)methylsulfanyl]ethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[2-[(5-bromo-2-thiophenyl)methylthio]ethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[2-[(5-bromo-2-thienyl)methylthio]ethyl]-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C17H16BrN3O5S2 MolecularWeight: 486.36004

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)NCCSCC3=CC=C(S3)Br

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)NCCSCC3=CC=C(S3)Br

InChI

InChI=1S/C17H16BrN3O5S2/c18-15-4-2-12(28-15)10-27-6-5-19-16(22)8-20-13-7-11(21(24)25)1-3-14(13)26-9-17(20)23/h1-4,7H,5-6,8-10H2,(H,19,22)