3-(acetyloxymethyl)-7-(2-methylsulfanylcarbothioyloxyethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-7-(2-methylsulfanylcarbothioyloxyethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-[(2-methylsulfanylcarbothioyloxyacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-[[2-[(methylthio)-sulfanylidenemethoxy]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-[(2-methylsulfanylcarbothioyloxyacetyl)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)carbothioyloxyacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H16N2O7S3 MolecularWeight: 420.48104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)COC(=S)SC)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)COC(=S)SC)SC1)C(=O)O

InChI

InChI=1S/C14H16N2O7S3/c1-6(17)22-3-7-5-26-12-9(11(19)16(12)10(7)13(20)21)15-8(18)4-23-14(24)25-2/h9,12H,3-5H2,1-2H3,(H,15,18)(H,20,21)