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

Systemtic Name: 5-acetamido-N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-2-nitro-benzamide Openeye Name: 5-acetamido-N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-2-nitro-benzamide CAS Name: 5-acetamido-N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]-2-nitrobenzamide IUPAC Name: 5-acetamido-N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-2-nitrobenzamide Traditional Name: 5-acetamido-N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]-2-nitro-benzamide Formula: C20H20N4O6S2 MolecularWeight: 476.526

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)SCOCCOC

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)SCOCCOC

InChI

InChI=1S/C20H20N4O6S2/c1-12(25)21-13-4-6-17(24(27)28)15(9-13)19(26)22-14-3-5-16-18(10-14)32-20(23-16)31-11-30-8-7-29-2/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,25)(H,22,26)