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

Systemtic Name: (diphenylmethyl) 3-isocyanato-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: benzhydryl 3-isocyanato-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 3-isocyanato-8-oxo-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 3-isocyanato-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 3-isocyanato-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid benzhydryl ester Formula: C27H21N3O5S2 MolecularWeight: 531.60274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3C(=CSC4N3C(=O)C4NC(=O)CC5=CC=CS5)N=C=O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3C(=CSC4N3C(=O)C4NC(=O)CC5=CC=CS5)N=C=O

InChI

InChI=1S/C27H21N3O5S2/c31-16-28-20-15-37-26-22(29-21(32)14-19-12-7-13-36-19)25(33)30(26)23(20)27(34)35-24(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,15,22-24,26H,14H2,(H,29,32)