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

Systemtic Name: 6-methoxy-3,3-dimethyl-7-oxidanylidene-6-(2-prop-2-ynylsulfanylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-methoxy-3,3-dimethyl-7-oxo-6-[(2-prop-2-ynylsulfanylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-methoxy-3,3-dimethyl-7-oxo-6-[[1-oxo-2-(prop-2-ynylthio)ethyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-methoxy-3,3-dimethyl-7-oxo-6-[(2-prop-2-ynylsulfanylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 7-keto-6-methoxy-3,3-dimethyl-6-[[2-(propargylthio)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C14H18N2O5S2 MolecularWeight: 358.43312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5S2/c1-5-6-22-7-8(17)15-14(21-4)11(20)16-9(10(18)19)13(2,3)23-12(14)16/h1,9,12H,6-7H2,2-4H3,(H,15,17)(H,18,19)