6-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C17H11N3O5S2 MolecularWeight: 401.41634

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O5S2/c21-13(9-1-4-14-12(5-9)18-16(22)7-25-14)8-26-17-19-11-3-2-10(20(23)24)6-15(11)27-17/h1-6H,7-8H2,(H,18,22)