2-(6-morpholin-4-ylsulfonyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoic acid

Systemtic Name: 2-(6-morpholin-4-ylsulfonyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoic acid Openeye Name: 2-(6-morpholinosulfonyl-2-oxo-1,3-benzothiazol-3-yl)acetic acid CAS Name: 2-[6-(4-morpholinylsulfonyl)-2-oxo-1,3-benzothiazol-3-yl]acetic acid IUPAC Name: 2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzothiazol-3-yl)acetic acid Traditional Name: 2-(2-keto-6-morpholinosulfonyl-1,3-benzothiazol-3-yl)acetic acid Formula: C13H14N2O6S2 MolecularWeight: 358.39006

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)S3)CC(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)S3)CC(=O)O

InChI

InChI=1S/C13H14N2O6S2/c16-12(17)8-15-10-2-1-9(7-11(10)22-13(15)18)23(19,20)14-3-5-21-6-4-14/h1-2,7H,3-6,8H2,(H,16,17)