2-(7-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]ethanamide

Systemtic Name: 2-(7-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]ethanamide Openeye Name: 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(2-thienylmethylsulfanyl)ethyl]acetamide CAS Name: 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(thiophen-2-ylmethylthio)ethyl]acetamide IUPAC Name: 2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide Traditional Name: 2-(7-bromo-3-keto-1,4-benzoxazin-4-yl)-N-[2-(2-thenylthio)ethyl]acetamide Formula: C17H17BrN2O3S2 MolecularWeight: 441.36248

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=C(C=C2)Br)CC(=O)NCCSCC3=CC=CS3

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=C(C=C2)Br)CC(=O)NCCSCC3=CC=CS3

InChI

InChI=1S/C17H17BrN2O3S2/c18-12-3-4-14-15(8-12)23-10-17(22)20(14)9-16(21)19-5-7-24-11-13-2-1-6-25-13/h1-4,6,8H,5,7,9-11H2,(H,19,21)