3-methyl-1,2-dioxiran-3-amine; (6S)-3-methyl-8-oxidanylidene-7-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-methyl-1,2-dioxiran-3-amine; (6S)-3-methyl-8-oxidanylidene-7-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-methyldioxiran-3-amine; (6S)-3-methyl-8-oxo-7-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-methyl-3-dioxiranamine; (6S)-3-methyl-8-oxo-7-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-methyldioxiran-3-amine; (6S)-3-methyl-8-oxo-7-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6S)-8-keto-3-methyl-7-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (3-methyldioxiran-3-yl)amine Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)C3=CC=CC=C3)SC1)C(=O)O.CC1(OO1)N

Isomeric SMILES

CC1=C(N2[C@H](C(C2=O)C3=CC=CC=C3)SC1)C(=O)O.CC1(OO1)N

InChI

InChI=1S/C14H13NO3S.C2H5NO2/c1-8-7-19-13-10(9-5-3-2-4-6-9)12(16)15(13)11(8)14(17)18;1-2(3)4-5-2/h2-6,10,13H,7H2,1H3,(H,17,18);3H2,1H3/t10?,13-;/m0./s1