4-[4-(4-acetyloxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 4-[4-(4-acetyloxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-[4-(4-acetoxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-[4-(4-acetyloxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-[4-(4-acetyloxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-[4-(4-acetoxybut-2-ynoxy)phenyl]sulfonyl-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C19H23NO7S2 MolecularWeight: 441.51842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2C(=O)O)(C)C

Isomeric SMILES

CC(=O)OCC#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCSC(C2C(=O)O)(C)C

InChI

InChI=1S/C19H23NO7S2/c1-14(21)26-11-4-5-12-27-15-6-8-16(9-7-15)29(24,25)20-10-13-28-19(2,3)17(20)18(22)23/h6-9,17H,10-13H2,1-3H3,(H,22,23)