3-ethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-ethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-ethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-ethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-ethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-ethoxy-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C13H16N2O4S2 MolecularWeight: 328.40714

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCOCCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C13H16N2O4S2/c1-3-19-7-6-12(16)15-13-14-10-5-4-9(21(2,17)18)8-11(10)20-13/h4-5,8H,3,6-7H2,1-2H3,(H,14,15,16)