7-azanyl-3-(2-bromanyl-4-ethoxycarbonyl-phenyl)sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-(2-bromanyl-4-ethoxycarbonyl-phenyl)sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-(2-bromo-4-ethoxycarbonyl-phenyl)sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[(2-bromo-4-ethoxycarbonylphenyl)thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-(2-bromo-4-ethoxycarbonylphenyl)sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-[(2-bromo-4-carbethoxy-phenyl)thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H15BrN2O5S2 MolecularWeight: 459.3347

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)SC2=C(N3C(C(C3=O)N)SC2)C(=O)O)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)SC2=C(N3C(C(C3=O)N)SC2)C(=O)O)Br

InChI

InChI=1S/C16H15BrN2O5S2/c1-2-24-16(23)7-3-4-9(8(17)5-7)26-10-6-25-14-11(18)13(20)19(14)12(10)15(21)22/h3-5,11,14H,2,6,18H2,1H3,(H,21,22)