[2-carboxy-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triethyl-azanium

Systemtic Name: [2-carboxy-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triethyl-azanium Openeye Name: [2-carboxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triethyl-ammonium CAS Name: [2-carboxy-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triethylammonium IUPAC Name: [2-carboxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triethylazanium Traditional Name: [2-carboxy-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triethyl-ammonium Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O

Isomeric SMILES

CC[N+](CC)(CC)CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O

InChI

InChI=1S/C22H29N3O4S/c1-4-25(5-2,6-3)13-16-14-30-21-18(20(27)24(21)19(16)22(28)29)23-17(26)12-15-10-8-7-9-11-15/h7-11,18,21H,4-6,12-14H2,1-3H3,(H-,23,26,28,29)/p+1