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

Systemtic Name: 6-methoxy-3,3-dimethyl-7-oxidanylidene-6-(2-phenylsulfanylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-methoxy-3,3-dimethyl-7-oxo-6-[(2-phenylsulfanylacetyl)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-(phenylthio)ethyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-methoxy-3,3-dimethyl-7-oxo-6-[(2-phenylsulfanylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 7-keto-6-methoxy-3,3-dimethyl-6-[[2-(phenylthio)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(NC(=O)CSC3=CC=CC=C3)OC)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(NC(=O)CSC3=CC=CC=C3)OC)C(=O)O)C

InChI

InChI=1S/C17H20N2O5S2/c1-16(2)12(13(21)22)19-14(23)17(24-3,15(19)26-16)18-11(20)9-25-10-7-5-4-6-8-10/h4-8,12,15H,9H2,1-3H3,(H,18,20)(H,21,22)