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

Systemtic Name: (diphenylmethyl) 3-carbonochloridoyl-8-oxidanylidene-7-(2-thiophen-3-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-chlorocarbonyl-8-oxo-7-[[2-(3-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-carbonochloridoyl-8-oxo-7-[[1-oxo-2-(3-thiophenyl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-carbonochloridoyl-8-oxo-7-[(2-thiophen-3-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-chlorocarbonyl-8-keto-7-[[2-(3-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C27H21ClN2O5S2 MolecularWeight: 553.04904

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CSC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)Cl

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CSC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)Cl

InChI

InChI=1S/C27H21ClN2O5S2/c28-24(32)19-15-37-26-21(29-20(31)13-16-11-12-36-14-16)25(33)30(26)22(19)27(34)35-23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,14,21,23,26H,13,15H2,(H,29,31)