3-(1-hydroxyethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(1-hydroxyethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(1-hydroxyethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(1-hydroxyethyl)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(1-hydroxyethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(1-hydroxyethyl)-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H16N2O5S2 MolecularWeight: 368.42794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O)O

Isomeric SMILES

CC(C1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)O)O

InChI

InChI=1S/C15H16N2O5S2/c1-7(18)9-6-24-14-11(13(20)17(14)12(9)15(21)22)16-10(19)5-8-3-2-4-23-8/h2-4,7,11,14,18H,5-6H2,1H3,(H,16,19)(H,21,22)