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

Systemtic Name: 8-oxidanylidene-3-(2-oxidanylpropan-2-yl)-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(1-hydroxy-1-methyl-ethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(2-hydroxypropan-2-yl)-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-(2-hydroxypropan-2-yl)-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-hydroxy-1-methyl-ethyl)-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H18N2O5S2 MolecularWeight: 382.45452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5S2/c1-16(2,23)9-7-25-14-11(13(20)18(14)12(9)15(21)22)17-10(19)6-8-4-3-5-24-8/h3-5,11,14,23H,6-7H2,1-2H3,(H,17,19)(H,21,22)