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

Systemtic Name: 3-(acetyloxymethyl)-6-methylsulfanyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-6-methylsulfanyl-8-oxo-7-[(2-phenylacetyl)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-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-6-methylsulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-8-keto-6-(methylthio)-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H20N2O6S2 MolecularWeight: 436.5019

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(=O)C(C2(SC1)SC)NC(=O)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(=O)C(C2(SC1)SC)NC(=O)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H20N2O6S2/c1-11(22)27-9-13-10-29-19(28-2)16(17(24)21(19)15(13)18(25)26)20-14(23)8-12-6-4-3-5-7-12/h3-7,16H,8-10H2,1-2H3,(H,20,23)(H,25,26)