3-(aminocarbonyloxymethyl)-7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; methylbenzene

Systemtic Name: 3-(aminocarbonyloxymethyl)-7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; methylbenzene Openeye Name: 7-amino-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; toluene CAS Name: 7-amino-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; toluene IUPAC Name: 7-amino-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; toluene Traditional Name: 7-amino-3-(carbamoyloxymethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; toluene Formula: C16H18N3O5S- MolecularWeight: 364.39622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C1C(=C(N2C(S1)C(C2=O)N)C(=O)[O-])COC(=O)N

Isomeric SMILES

CC1=CC=CC=C1.C1C(=C(N2C(S1)C(C2=O)N)C(=O)[O-])COC(=O)N

InChI

InChI=1S/C9H11N3O5S.C7H8/c10-4-6(13)12-5(8(14)15)3(1-17-9(11)16)2-18-7(4)12;1-7-5-3-2-4-6-7/h4,7H,1-2,10H2,(H2,11,16)(H,14,15);2-6H,1H3/p-1