ethoxycarbonyloxymethyl 3-(acetyloxymethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: ethoxycarbonyloxymethyl 3-(acetyloxymethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: ethoxycarbonyloxymethyl 3-(acetoxymethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ethoxycarbonyloxymethyl ester IUPAC Name: ethoxycarbonyloxymethyl 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid carbethoxyoxymethyl ester Formula: C20H22N2O9S2 MolecularWeight: 498.52668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=CS3)COC(=O)C

Isomeric SMILES

CCOC(=O)OCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=CS3)COC(=O)C

InChI

InChI=1S/C20H22N2O9S2/c1-3-28-20(27)31-10-30-19(26)16-12(8-29-11(2)23)9-33-18-15(17(25)22(16)18)21-14(24)7-13-5-4-6-32-13/h4-6,15,18H,3,7-10H2,1-2H3,(H,21,24)