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

Systemtic Name: 6-ethanoyl-3,3-dimethyl-6-[(2-methylsulfanylphenyl)carbonylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-acetyl-3,3-dimethyl-6-[(2-methylsulfanylbenzoyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-acetyl-3,3-dimethyl-6-[[[2-(methylthio)phenyl]-oxomethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-acetyl-3,3-dimethyl-6-[(2-methylsulfanylbenzoyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-acetyl-7-keto-3,3-dimethyl-6-[[2-(methylthio)benzoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C2N(C1=O)C(C(S2)(C)C)C(=O)O)NC(=O)C3=CC=CC=C3SC

Isomeric SMILES

CC(=O)C1(C2N(C1=O)C(C(S2)(C)C)C(=O)O)NC(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C18H20N2O5S2/c1-9(21)18(19-13(22)10-7-5-6-8-11(10)26-4)15(25)20-12(14(23)24)17(2,3)27-16(18)20/h5-8,12,16H,1-4H3,(H,19,22)(H,23,24)