(diphenylmethyl) 3-morpholin-4-yl-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 3-morpholin-4-yl-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-morpholino-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(4-morpholinyl)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-morpholin-4-yl-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-morpholino-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C30H29N3O5S2 MolecularWeight: 575.69836

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1COCCN1C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H29N3O5S2/c34-24(18-22-12-7-17-39-22)31-25-28(35)33-26(23(19-40-29(25)33)32-13-15-37-16-14-32)30(36)38-27(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,17,25,27,29H,13-16,18-19H2,(H,31,34)