3-(iodanylmethyl)-8-oxidanylidene-7-[(phenylmethylidene)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-(iodanylmethyl)-8-oxidanylidene-7-[(phenylmethylidene)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-(benzylideneamino)-3-(iodomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(iodomethyl)-8-oxo-7-[(phenylmethylene)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-(benzylideneamino)-3-(iodomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-(benzalamino)-3-(iodomethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C15H12IN2O3S- MolecularWeight: 427.23685

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N=CC3=CC=CC=C3)C(=O)[O-])CI

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N=CC3=CC=CC=C3)C(=O)[O-])CI

InChI

InChI=1S/C15H13IN2O3S/c16-6-10-8-22-14-11(13(19)18(14)12(10)15(20)21)17-7-9-4-2-1-3-5-9/h1-5,7,11,14H,6,8H2,(H,20,21)/p-1