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

Systemtic Name: 3-(iodanylmethyl)-7-methoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(iodomethyl)-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(iodomethyl)-7-methoxy-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(iodomethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(iodomethyl)-8-keto-7-methoxy-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H15IN2O5S2 MolecularWeight: 494.32447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)CI)C(=O)O)NC(=O)CC3=CC=CS3

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)CI)C(=O)O)NC(=O)CC3=CC=CS3

InChI

InChI=1S/C15H15IN2O5S2/c1-23-15(17-10(19)5-9-3-2-4-24-9)13(22)18-11(12(20)21)8(6-16)7-25-14(15)18/h2-4,14H,5-7H2,1H3,(H,17,19)(H,20,21)