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

Systemtic Name: (diphenylmethyl) 3-ethyl-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-ethyl-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-ethyl-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-ethyl-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-ethyl-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C28H26N2O4S2 MolecularWeight: 518.64704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC1=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/C28H26N2O4S2/c1-2-18-17-36-27-23(29-22(31)16-21-14-9-15-35-21)26(32)30(27)24(18)28(33)34-25(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-15,23,25,27H,2,16-17H2,1H3,(H,29,31)