N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(3-nitro-4-oxidanyl-phenyl)ethanamide

Systemtic Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(3-nitro-4-oxidanyl-phenyl)ethanamide Openeye Name: 2-(4-hydroxy-3-nitro-phenyl)-N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]acetamide CAS Name: 2-(4-hydroxy-3-nitrophenyl)-N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(4-hydroxy-3-nitrophenyl)-N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]acetamide Traditional Name: 2-(4-hydroxy-3-nitro-phenyl)-N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]acetamide Formula: C19H19N3O6S2 MolecularWeight: 449.50066

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

COCCOCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6S2/c1-27-6-7-28-11-29-19-21-14-4-3-13(10-17(14)30-19)20-18(24)9-12-2-5-16(23)15(8-12)22(25)26/h2-5,8,10,23H,6-7,9,11H2,1H3,(H,20,24)