4,5-dimethoxy-N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-2-nitro-benzamide

Systemtic Name: 4,5-dimethoxy-N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-2-nitro-benzamide CAS Name: 4,5-dimethoxy-N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-2-nitrobenzamide Traditional Name: 4,5-dimethoxy-N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]-2-nitro-benzamide Formula: C20H21N3O7S2 MolecularWeight: 479.52664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O7S2/c1-27-6-7-30-11-31-20-22-14-5-4-12(8-18(14)32-20)21-19(24)13-9-16(28-2)17(29-3)10-15(13)23(25)26/h4-5,8-10H,6-7,11H2,1-3H3,(H,21,24)