7-[2,2-bis(bromanyl)ethanoylamino]-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[2,2-bis(bromanyl)ethanoylamino]-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2,2-dibromoacetyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2,2-dibromo-1-oxoethyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2,2-dibromoacetyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2,2-dibromoacetyl)amino]-8-keto-3-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C10H10Br2N2O5S MolecularWeight: 430.0698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N2C(C(C2=O)NC(=O)C(Br)Br)SC1)C(=O)O

Isomeric SMILES

COC1=C(N2C(C(C2=O)NC(=O)C(Br)Br)SC1)C(=O)O

InChI

InChI=1S/C10H10Br2N2O5S/c1-19-3-2-20-9-4(13-7(15)6(11)12)8(16)14(9)5(3)10(17)18/h4,6,9H,2H2,1H3,(H,13,15)(H,17,18)