(2S,6R)-3,3-dimethyl-7-oxidanylidene-6-(2-prop-2-enylsulfanylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: (2S,6R)-3,3-dimethyl-7-oxidanylidene-6-(2-prop-2-enylsulfanylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: (2S,6R)-6-[(2-allylsulfanylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: (2S,6R)-3,3-dimethyl-7-oxo-6-[[1-oxo-2-(prop-2-enylthio)ethyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (2S,6R)-3,3-dimethyl-7-oxo-6-[(2-prop-2-enylsulfanylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: (2S,6R)-6-[[2-(allylthio)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C13H18N2O4S2 MolecularWeight: 330.42302

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)CSCC=C)C(=O)O)C

Isomeric SMILES

CC1([C@@H](N2C(S1)[C@@H](C2=O)NC(=O)CSCC=C)C(=O)O)C

InChI

InChI=1S/C13H18N2O4S2/c1-4-5-20-6-7(16)14-8-10(17)15-9(12(18)19)13(2,3)21-11(8)15/h4,8-9,11H,1,5-6H2,2-3H3,(H,14,16)(H,18,19)/t8-,9+,11?/m1/s1