acetyloxymethyl (6S,7R)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: acetyloxymethyl (6S,7R)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: acetoxymethyl (6S,7R)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6S,7R)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid acetyloxymethyl ester IUPAC Name: acetyloxymethyl (6S,7R)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6S,7R)-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid acetoxymethyl ester Formula: C16H16N2O6S2 MolecularWeight: 396.43804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCOC(=O)C1=CCSC2N1C(=O)C2NC(=O)CC3=CC=CS3

Isomeric SMILES

CC(=O)OCOC(=O)C1=CCS[C@@H]2N1C(=O)[C@H]2NC(=O)CC3=CC=CS3

InChI

InChI=1S/C16H16N2O6S2/c1-9(19)23-8-24-16(22)11-4-6-26-15-13(14(21)18(11)15)17-12(20)7-10-3-2-5-25-10/h2-5,13,15H,6-8H2,1H3,(H,17,20)/t13-,15+/m1/s1