4-methylsulfinyl-2-(phenoxathiin-2-ylsulfonylamino)butanoic acid

Systemtic Name: 4-methylsulfinyl-2-(phenoxathiin-2-ylsulfonylamino)butanoic acid Openeye Name: 4-methylsulfinyl-2-(phenoxathiin-2-ylsulfonylamino)butanoic acid CAS Name: 4-methylsulfinyl-2-(2-phenoxathiinylsulfonylamino)butanoic acid IUPAC Name: 4-methylsulfinyl-2-(phenoxathiin-2-ylsulfonylamino)butanoic acid Traditional Name: 4-methylsulfinyl-2-(phenoxathiin-2-ylsulfonylamino)butyric acid Formula: C17H17NO6S3 MolecularWeight: 427.51498

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CCC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3S2

Isomeric SMILES

CS(=O)CCC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3S2

InChI

InChI=1S/C17H17NO6S3/c1-26(21)9-8-12(17(19)20)18-27(22,23)11-6-7-14-16(10-11)25-15-5-3-2-4-13(15)24-14/h2-7,10,12,18H,8-9H2,1H3,(H,19,20)