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

Systemtic Name: (diphenylmethyl) 8-oxidanylidene-3-propanoyl-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: benzhydryl 8-oxo-3-propanoyl-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 8-oxo-3-(1-oxopropyl)-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 8-oxo-3-propanoyl-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 8-keto-3-propionyl-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid benzhydryl ester Formula: C29H26N2O5S2 MolecularWeight: 546.65714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CSC2C(C(=O)N2C1C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)CC5=CC=CS5

Isomeric SMILES

CCC(=O)C1=CSC2C(C(=O)N2C1C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)CC5=CC=CS5

InChI

InChI=1S/C29H26N2O5S2/c1-2-22(32)21-17-38-28-24(30-23(33)16-20-14-9-15-37-20)27(34)31(28)25(21)29(35)36-26(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,17,24-26,28H,2,16H2,1H3,(H,30,33)