(2S)-3-methyl-2-[[7-(2-oxidanylidene-1,3-oxazolidin-3-yl)dibenzothiophen-3-yl]sulfonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[7-(2-oxidanylidene-1,3-oxazolidin-3-yl)dibenzothiophen-3-yl]sulfonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[[7-(2-oxooxazolidin-3-yl)dibenzothiophen-3-yl]sulfonylamino]butanoic acid CAS Name: (2S)-3-methyl-2-[[7-(2-oxo-3-oxazolidinyl)-3-dibenzothiophenyl]sulfonylamino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[7-(2-oxo-1,3-oxazolidin-3-yl)dibenzothiophen-3-yl]sulfonylamino]butanoic acid Traditional Name: (2S)-2-[[7-(2-ketooxazolidin-3-yl)dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butyric acid Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(S2)C=C(C=C3)N4CCOC4=O

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(S2)C=C(C=C3)N4CCOC4=O

InChI

InChI=1S/C20H20N2O6S2/c1-11(2)18(19(23)24)21-30(26,27)13-4-6-15-14-5-3-12(22-7-8-28-20(22)25)9-16(14)29-17(15)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1