3-(azidomethyl)-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(azidomethyl)-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(azidomethyl)-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(azidomethyl)-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(azidomethyl)-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(azidomethyl)-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2N1C(=C(CS2)CN=[N+]=[N-])C(=O)O)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1C(C2N1C(=C(CS2)CN=[N+]=[N-])C(=O)O)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H17N5O3S/c17-20-18-7-11-9-25-15-12(8-21(15)14(11)16(23)24)19-13(22)6-10-4-2-1-3-5-10/h1-5,12,15H,6-9H2,(H,19,22)(H,23,24)