(4-but-2-ynoxyphenyl) 2,2-dimethyl-3-(oxidanylcarbamoyl)thiomorpholine-4-sulfinate

Systemtic Name: (4-but-2-ynoxyphenyl) 2,2-dimethyl-3-(oxidanylcarbamoyl)thiomorpholine-4-sulfinate Openeye Name: (4-but-2-ynoxyphenyl) 3-(hydroxycarbamoyl)-2,2-dimethyl-thiomorpholine-4-sulfinate CAS Name: 3-[(hydroxyamino)-oxomethyl]-2,2-dimethyl-4-thiomorpholinesulfinic acid (4-but-2-ynoxyphenyl) ester IUPAC Name: (4-but-2-ynoxyphenyl) 3-(hydroxycarbamoyl)-2,2-dimethylthiomorpholine-4-sulfinate Traditional Name: 3-(hydroxycarbamoyl)-2,2-dimethyl-thiomorpholine-4-sulfinic acid (4-but-2-ynoxyphenyl) ester Formula: C17H22N2O5S2 MolecularWeight: 398.49698

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)OS(=O)N2CCSC(C2C(=O)NO)(C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)OS(=O)N2CCSC(C2C(=O)NO)(C)C

InChI

InChI=1S/C17H22N2O5S2/c1-4-5-11-23-13-6-8-14(9-7-13)24-26(22)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)