8-oxidanylidene-7-(2-phenylethanoylamino)-3-[(triethylazaniumyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 8-oxidanylidene-7-(2-phenylethanoylamino)-3-[(triethylazaniumyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 8-oxo-7-[(2-phenylacetyl)amino]-3-[(triethylammonio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-[(1-oxo-2-phenylethyl)amino]-3-[(triethylammonio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 8-oxo-7-[(2-phenylacetyl)amino]-3-[(triethylazaniumyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[(2-phenylacetyl)amino]-3-[(triethylammonio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C22H29N3O4S MolecularWeight: 431.54836

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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)