2-ethoxy-5-thiomorpholin-4-ylsulfonyl-benzoic acid

Systemtic Name: 2-ethoxy-5-thiomorpholin-4-ylsulfonyl-benzoic acid Openeye Name: 2-ethoxy-5-thiomorpholinosulfonyl-benzoic acid CAS Name: 2-ethoxy-5-thiomorpholin-4-ylsulfonylbenzoic acid IUPAC Name: 2-ethoxy-5-thiomorpholin-4-ylsulfonylbenzoic acid Traditional Name: 2-ethoxy-5-thiomorpholinosulfonyl-benzoic acid Formula: C13H17NO5S2 MolecularWeight: 331.40778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCSCC2)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCSCC2)C(=O)O

InChI

InChI=1S/C13H17NO5S2/c1-2-19-12-4-3-10(9-11(12)13(15)16)21(17,18)14-5-7-20-8-6-14/h3-4,9H,2,5-8H2,1H3,(H,15,16)