3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[[2-(4-bromophenyl)-2-oxoethyl]thio]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C14H10BrNO4S2 MolecularWeight: 400.2675

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(S2)SCC(=O)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1C2N(C1=O)C(=C(S2)SCC(=O)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C14H10BrNO4S2/c15-8-3-1-7(2-4-8)9(17)6-21-14-12(13(19)20)16-10(18)5-11(16)22-14/h1-4,11H,5-6H2,(H,19,20)