3-(acetyloxymethyl)-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-(acetyloxymethyl)-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-(acetoxymethyl)-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-(acetyloxymethyl)-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-(acetyloxymethyl)-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: 3-(acetoxymethyl)-8-keto-6-(methylthio)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H18N2O6S3 MolecularWeight: 442.52962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(=O)C(C2(SC1)SC)NC(=O)CC3=CC=CS3)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(=O)C(C2(SC1)SC)NC(=O)CC3=CC=CS3)C(=O)O

InChI

InChI=1S/C17H18N2O6S3/c1-9(20)25-7-10-8-28-17(26-2)14(15(22)19(17)13(10)16(23)24)18-12(21)6-11-4-3-5-27-11/h3-5,14H,6-8H2,1-2H3,(H,18,21)(H,23,24)