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

Systemtic Name: N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[4-(4-methylsulfanylphenyl)thiazol-2-yl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[4-[4-(methylthio)phenyl]-2-thiazolyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-[4-[4-(methylthio)phenyl]thiazol-2-yl]acetamide Formula: C20H16N4O5S2 MolecularWeight: 456.49484

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O5S2/c1-30-14-5-2-12(3-6-14)15-11-31-20(21-15)22-18(25)9-23-16-8-13(24(27)28)4-7-17(16)29-10-19(23)26/h2-8,11H,9-10H2,1H3,(H,21,22,25)