3-(1-bromoethyl)-7-methoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid

Systemtic Name: 3-(1-bromoethyl)-7-methoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Openeye Name: 3-(1-bromoethyl)-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid CAS Name: 3-(1-bromoethyl)-7-methoxy-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid IUPAC Name: 3-(1-bromoethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Traditional Name: 3-(1-bromoethyl)-8-keto-7-methoxy-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Formula: C16H17BrN2O5S2 MolecularWeight: 461.35058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CSC2C(C(=O)N2C1C(=O)O)(NC(=O)CC3=CC=CS3)OC)Br

Isomeric SMILES

CC(C1=CSC2C(C(=O)N2C1C(=O)O)(NC(=O)CC3=CC=CS3)OC)Br

InChI

InChI=1S/C16H17BrN2O5S2/c1-8(17)10-7-26-15-16(24-2,14(23)19(15)12(10)13(21)22)18-11(20)6-9-4-3-5-25-9/h3-5,7-8,12,15H,6H2,1-2H3,(H,18,20)(H,21,22)