tert-butyl 3-ethyl-8-oxidanylidene-7-[(triphenylmethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 3-ethyl-8-oxidanylidene-7-[(triphenylmethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 3-ethyl-8-oxo-7-(tritylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-ethyl-8-oxo-7-[(triphenylmethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-ethyl-8-oxo-7-(tritylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-ethyl-8-keto-7-(tritylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C32H34N2O3S MolecularWeight: 526.68896

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C(C(C2=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SC1)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(N2C(C(C2=O)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)SC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C32H34N2O3S/c1-5-22-21-38-29-26(28(35)34(29)27(22)30(36)37-31(2,3)4)33-32(23-15-9-6-10-16-23,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-20,26,29,33H,5,21H2,1-4H3