N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-2-methylsulfonyl-benzamide

Systemtic Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-2-methylsulfonyl-benzamide Openeye Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-2-methylsulfonyl-benzamide CAS Name: N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]-2-methylsulfonylbenzamide IUPAC Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-2-methylsulfonylbenzamide Traditional Name: 2-mesyl-N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C19H20N2O5S3 MolecularWeight: 452.5675

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

COCCOCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C19H20N2O5S3/c1-25-9-10-26-12-27-19-21-15-8-7-13(11-16(15)28-19)20-18(22)14-5-3-4-6-17(14)29(2,23)24/h3-8,11H,9-10,12H2,1-2H3,(H,20,22)