7-(2-bromanylethanoylamino)-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(2-bromanylethanoylamino)-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-bromoacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-bromo-1-oxoethyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-bromoacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-bromoacetyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C10H11BrN2O4S MolecularWeight: 335.17434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)CBr)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)CBr)SC1)C(=O)O

InChI

InChI=1S/C10H11BrN2O4S/c1-4-3-18-9-6(12-5(14)2-11)8(15)13(9)7(4)10(16)17/h6,9H,2-3H2,1H3,(H,12,14)(H,16,17)