3-(hydroxymethyl)-6-methylsulfanyl-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(hydroxymethyl)-6-methylsulfanyl-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(hydroxymethyl)-6-methylsulfanyl-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(hydroxymethyl)-6-(methylthio)-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-(hydroxymethyl)-6-methylsulfanyl-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-methylol-6-(methylthio)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H16N2O5S3 MolecularWeight: 400.49294

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Descriptors Computed from Structure

Canonical SMILES:

CSC12C(C(=O)N1C(=C(CS2)CO)C(=O)O)NC(=O)CC3=CC=CS3

Isomeric SMILES

CSC12C(C(=O)N1C(=C(CS2)CO)C(=O)O)NC(=O)CC3=CC=CS3

InChI

InChI=1S/C15H16N2O5S3/c1-23-15-12(16-10(19)5-9-3-2-4-24-9)13(20)17(15)11(14(21)22)8(6-18)7-25-15/h2-4,12,18H,5-7H2,1H3,(H,16,19)(H,21,22)