6-[2-(4-bromophenyl)ethanoylamino]-3,3-dimethyl-6-(2-nitrophenyl)sulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-[2-(4-bromophenyl)ethanoylamino]-3,3-dimethyl-6-(2-nitrophenyl)sulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[[2-(4-bromophenyl)acetyl]amino]-3,3-dimethyl-6-(2-nitrophenyl)sulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[[2-(4-bromophenyl)-1-oxoethyl]amino]-3,3-dimethyl-6-[(2-nitrophenyl)thio]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[[2-(4-bromophenyl)acetyl]amino]-3,3-dimethyl-6-(2-nitrophenyl)sulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[[2-(4-bromophenyl)acetyl]amino]-7-keto-3,3-dimethyl-6-[(2-nitrophenyl)thio]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C22H20BrN3O6S2 MolecularWeight: 566.4447

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(NC(=O)CC3=CC=C(C=C3)Br)SC4=CC=CC=C4[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(NC(=O)CC3=CC=C(C=C3)Br)SC4=CC=CC=C4[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C22H20BrN3O6S2/c1-21(2)17(18(28)29)25-19(30)22(20(25)34-21,33-15-6-4-3-5-14(15)26(31)32)24-16(27)11-12-7-9-13(23)10-8-12/h3-10,17,20H,11H2,1-2H3,(H,24,27)(H,28,29)