methoxycarbonyloxymethyl 3-(acetyloxymethyl)-7-(heptanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: methoxycarbonyloxymethyl 3-(acetyloxymethyl)-7-(heptanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: methoxycarbonyloxymethyl 3-(acetoxymethyl)-7-(heptanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-8-oxo-7-(1-oxoheptylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methoxycarbonyloxymethyl ester IUPAC Name: methoxycarbonyloxymethyl 3-(acetyloxymethyl)-7-(heptanoylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-7-(enanthylamino)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid carbomethoxyoxymethyl ester Formula: C20H28N2O9S MolecularWeight: 472.50932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)OCOC(=O)OC

Isomeric SMILES

CCCCCCC(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)OCOC(=O)OC

InChI

InChI=1S/C20H28N2O9S/c1-4-5-6-7-8-14(24)21-15-17(25)22-16(19(26)30-11-31-20(27)28-3)13(9-29-12(2)23)10-32-18(15)22/h15,18H,4-11H2,1-3H3,(H,21,24)