(6R)-8-oxidanylidene-3-(2H-pyridin-1-ylmethyl)-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: (6R)-8-oxidanylidene-3-(2H-pyridin-1-ylmethyl)-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: (6R)-8-oxo-3-(2H-pyridin-1-ylmethyl)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 2-(trimethylammonio)acetate CAS Name: (6R)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-3-(2H-pyridin-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 2-(trimethylammonio)acetate IUPAC Name: (6R)-8-oxo-3-(2H-pyridin-1-ylmethyl)-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 2-(trimethylazaniumyl)acetate Traditional Name: (6R)-8-keto-3-(2H-pyridin-1-ylmethyl)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 2-(trimethylammonio)acetate Formula: C24H30N4O6S2 MolecularWeight: 534.6482

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(=O)[O-].C1C=CC=CN1CC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O

Isomeric SMILES

C[N+](C)(C)CC(=O)[O-].C1C=CC=CN1CC2=C(N3[C@@H](C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O

InChI

InChI=1S/C19H19N3O4S2.C5H11NO2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21;1-6(2,3)4-5(7)8/h1-6,8,15,18H,7,9-11H2,(H,20,23)(H,25,26);4H2,1-3H3/t15?,18-;/m1./s1