3-(cyanomethylsulfanyl)-8-oxidanylidene-7-[(triphenylmethyl)amino]-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-(cyanomethylsulfanyl)-8-oxidanylidene-7-[(triphenylmethyl)amino]-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-(cyanomethylsulfanyl)-8-oxo-7-(tritylamino)-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(cyanomethylthio)-8-oxo-7-[(triphenylmethyl)amino]-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-(cyanomethylsulfanyl)-8-oxo-7-(tritylamino)-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(cyanomethylthio)-8-keto-7-(tritylamino)-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C28H22N3O3S2- MolecularWeight: 512.62258

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(=O)N2C(=C(S1)SCC#N)C(=O)[O-])NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2C(C(=O)N2C(=C(S1)SCC#N)C(=O)[O-])NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H23N3O3S2/c29-16-17-35-27-24(26(33)34)31-22(18-36-27)23(25(31)32)30-28(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-23,30H,17-18H2,(H,33,34)/p-1