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

Systemtic Name: 3-(2-iodanylpropoxycarbonyl)-8-oxidanylidene-7-(2-thiophen-3-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(2-iodopropoxycarbonyl)-8-oxo-7-[[2-(3-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[2-iodopropoxy(oxo)methyl]-8-oxo-7-[[1-oxo-2-(3-thiophenyl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(2-iodopropoxycarbonyl)-8-oxo-7-[(2-thiophen-3-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(2-iodopropoxycarbonyl)-8-keto-7-[[2-(3-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H17IN2O6S2 MolecularWeight: 536.36115

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C1=C(N2C(C(C2=O)NC(=O)CC3=CSC=C3)SC1)C(=O)O)I

Isomeric SMILES

CC(COC(=O)C1=C(N2C(C(C2=O)NC(=O)CC3=CSC=C3)SC1)C(=O)O)I

InChI

InChI=1S/C17H17IN2O6S2/c1-8(18)5-26-17(25)10-7-28-15-12(14(22)20(15)13(10)16(23)24)19-11(21)4-9-2-3-27-6-9/h2-3,6,8,12,15H,4-5,7H2,1H3,(H,19,21)(H,23,24)