3-(acetyloxymethyl)-7-[(2-methylsulfanyl-2-thiophen-2-yl-ethanoyl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-7-[(2-methylsulfanyl-2-thiophen-2-yl-ethanoyl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-[[2-methylsulfanyl-2-(2-thienyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-[[2-(methylthio)-1-oxo-2-thiophen-2-ylethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-[(2-methylsulfanyl-2-thiophen-2-ylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-8-keto-7-[[2-(methylthio)-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(C(C2=O)NC(=O)C(C3=CC=CS3)SC)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CS3)SC)SC1)C(=O)O

InChI

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