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

Systemtic Name: (diphenylmethyl) 8-oxidanylidene-3-propanoylperoxycarbonyl-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 8-oxo-3-propanoylperoxycarbonyl-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-3-[oxo(1-oxopropyldioxy)methyl]-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 8-oxo-3-propanoylperoxycarbonyl-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-propionylperoxycarbonyl-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C30H26N2O8S2 MolecularWeight: 606.66604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OOC(=O)C1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC(=O)OOC(=O)C1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H26N2O8S2/c1-2-23(34)39-40-29(36)21-17-42-28-24(31-22(33)16-20-14-9-15-41-20)27(35)32(28)25(21)30(37)38-26(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,24,26,28H,2,16-17H2,1H3,(H,31,33)