2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-4-methylsulfinyl-butanoic acid

Systemtic Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-4-methylsulfinyl-butanoic acid Openeye Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-4-methylsulfinyl-butanoic acid CAS Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-4-methylsulfinylbutanoic acid IUPAC Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-4-methylsulfinylbutanoic acid Traditional Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-4-methylsulfinyl-butyric acid Formula: C17H19NO6S3 MolecularWeight: 429.53086

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CCC(C(=O)O)NS(=O)(=O)C1=CC2C(C=C1)SC3=CC=CC=C3O2

Isomeric SMILES

CS(=O)CCC(C(=O)O)NS(=O)(=O)C1=CC2C(C=C1)SC3=CC=CC=C3O2

InChI

InChI=1S/C17H19NO6S3/c1-26(21)9-8-12(17(19)20)18-27(22,23)11-6-7-16-14(10-11)24-13-4-2-3-5-15(13)25-16/h2-7,10,12,14,16,18H,8-9H2,1H3,(H,19,20)