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

Systemtic Name: 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]ethanamide Openeye Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(2-thienylmethylsulfanyl)ethyl]acetamide CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(thiophen-2-ylmethylthio)ethyl]acetamide IUPAC Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-[2-(2-thenylthio)ethyl]acetamide Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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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=CS3

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)NCCSCC3=CC=CS3

InChI

InChI=1S/C17H17N3O5S2/c21-16(18-5-7-26-11-13-2-1-6-27-13)9-19-14-8-12(20(23)24)3-4-15(14)25-10-17(19)22/h1-4,6,8H,5,7,9-11H2,(H,18,21)