2,2-dimethyl-4-[4-(1,3-thiazol-5-ylmethoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 2,2-dimethyl-4-[4-(1,3-thiazol-5-ylmethoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Openeye Name: 2,2-dimethyl-4-[4-(thiazol-5-ylmethoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid CAS Name: 2,2-dimethyl-4-[4-(5-thiazolylmethoxy)phenyl]sulfonyl-3-thiomorpholinecarboxylic acid IUPAC Name: 2,2-dimethyl-4-[4-(1,3-thiazol-5-ylmethoxy)phenyl]sulfonylthiomorpholine-3-carboxylic acid Traditional Name: 2,2-dimethyl-4-[4-(thiazol-5-ylmethoxy)phenyl]sulfonyl-thiomorpholine-3-carboxylic acid Formula: C17H20N2O5S3 MolecularWeight: 428.5461

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CN=CS3)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CN=CS3)C(=O)O)C

InChI

InChI=1S/C17H20N2O5S3/c1-17(2)15(16(20)21)19(7-8-26-17)27(22,23)14-5-3-12(4-6-14)24-10-13-9-18-11-25-13/h3-6,9,11,15H,7-8,10H2,1-2H3,(H,20,21)