ethoxycarbonyl (6R,7R)-3-ethyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: ethoxycarbonyl (6R,7R)-3-ethyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: ethoxycarbonyl (6R,7R)-3-ethyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-3-ethyl-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ethoxycarbonyl ester IUPAC Name: ethoxycarbonyl (6R,7R)-3-ethyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-3-ethyl-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid carbethoxy ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)OC(=O)OCC

Isomeric SMILES

CCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)OC(=O)OCC

InChI

InChI=1S/C20H22N2O6S/c1-3-13-11-29-18-15(21-14(23)10-12-8-6-5-7-9-12)17(24)22(18)16(13)19(25)28-20(26)27-4-2/h5-9,15,18H,3-4,10-11H2,1-2H3,(H,21,23)/t15-,18-/m1/s1