7-(2-iodanylethanoylamino)-8-oxidanylidene-3-(2-phenylsulfanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(2-iodanylethanoylamino)-8-oxidanylidene-3-(2-phenylsulfanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-iodoacetyl)amino]-8-oxo-3-[(2-phenylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-iodo-1-oxoethyl)amino]-8-oxo-3-[[1-oxo-2-(phenylthio)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-iodoacetyl)amino]-8-oxo-3-[(2-phenylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-iodoacetyl)amino]-8-keto-3-[[2-(phenylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H16IN3O5S2 MolecularWeight: 533.36051

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CI)C(=O)O)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CI)C(=O)O)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C17H16IN3O5S2/c18-6-11(22)20-13-15(24)21-14(17(25)26)10(7-28-16(13)21)19-12(23)8-27-9-4-2-1-3-5-9/h1-5,13,16H,6-8H2,(H,19,23)(H,20,22)(H,25,26)