3-methyl-4-[4-(1,3-thiazol-5-ylmethoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid

Systemtic Name: 3-methyl-4-[4-(1,3-thiazol-5-ylmethoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid Openeye Name: 3-methyl-4-[4-(thiazol-5-ylmethoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid CAS Name: 3-methyl-4-[4-(5-thiazolylmethoxy)phenyl]sulfonyl-3-morpholinecarboxylic acid IUPAC Name: 3-methyl-4-[4-(1,3-thiazol-5-ylmethoxy)phenyl]sulfonylmorpholine-3-carboxylic acid Traditional Name: 3-methyl-4-[4-(thiazol-5-ylmethoxy)phenyl]sulfonyl-morpholine-3-carboxylic acid Formula: C16H18N2O6S2 MolecularWeight: 398.45392

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COCCN1S(=O)(=O)C2=CC=C(C=C2)OCC3=CN=CS3)C(=O)O

Isomeric SMILES

CC1(COCCN1S(=O)(=O)C2=CC=C(C=C2)OCC3=CN=CS3)C(=O)O

InChI

InChI=1S/C16H18N2O6S2/c1-16(15(19)20)10-23-7-6-18(16)26(21,22)14-4-2-12(3-5-14)24-9-13-8-17-11-25-13/h2-5,8,11H,6-7,9-10H2,1H3,(H,19,20)