7-[(4-bromanyl-3-oxidanylidene-butanoyl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(4-bromanyl-3-oxidanylidene-butanoyl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(4-bromo-3-oxo-butanoyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(4-bromo-1,3-dioxobutyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(4-bromo-3-oxobutanoyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(4-bromo-3-keto-butanoyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H13BrN2O5S MolecularWeight: 377.21102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN2O5S/c1-5-4-21-11-8(14-7(17)2-6(16)3-13)10(18)15(11)9(5)12(19)20/h8,11H,2-4H2,1H3,(H,14,17)(H,19,20)