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

Systemtic Name: (phenylmethyl) 3-chloranyl-7-methoxy-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzyl 3-chloro-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-chloro-7-methoxy-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-chloro-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-chloro-8-keto-7-methoxy-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzyl ester Formula: C21H19ClN2O5S2 MolecularWeight: 478.96896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)Cl)C(=O)OCC3=CC=CC=C3)NC(=O)CC4=CC=CS4

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)Cl)C(=O)OCC3=CC=CC=C3)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C21H19ClN2O5S2/c1-28-21(23-16(25)10-14-8-5-9-30-14)19(27)24-17(15(22)12-31-20(21)24)18(26)29-11-13-6-3-2-4-7-13/h2-9,20H,10-12H2,1H3,(H,23,25)