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

Systemtic Name: 6-[(3-bromophenyl)carbonylamino]-6-ethanoyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-acetyl-6-[(3-bromobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-acetyl-6-[[(3-bromophenyl)-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-acetyl-6-[(3-bromobenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-acetyl-6-[(3-bromobenzoyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C17H17BrN2O5S MolecularWeight: 441.29628

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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=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O5S/c1-8(21)17(19-12(22)9-5-4-6-10(18)7-9)14(25)20-11(13(23)24)16(2,3)26-15(17)20/h4-7,11,15H,1-3H3,(H,19,22)(H,23,24)