methyl 2-(N-tert-butyl-C-phenylsulfanyl-carbonimidoyl)-2,3-dicyano-3,3-diphenyl-propanoate

Systemtic Name: methyl 2-(N-tert-butyl-C-phenylsulfanyl-carbonimidoyl)-2,3-dicyano-3,3-diphenyl-propanoate Openeye Name: methyl 2-(N-tert-butyl-C-phenylsulfanyl-carbonimidoyl)-2,3-dicyano-3,3-diphenyl-propanoate CAS Name: 2-[tert-butylimino-(phenylthio)methyl]-2,3-dicyano-3,3-diphenylpropanoic acid methyl ester IUPAC Name: methyl 2-(N-tert-butyl-C-phenylsulfanylcarbonimidoyl)-2,3-dicyano-3,3-diphenylpropanoate Traditional Name: 2-[N-tert-butyl-C-(phenylthio)carbonimidoyl]-2,3-dicyano-3,3-diphenyl-propionic acid methyl ester Formula: C29H27N3O2S MolecularWeight: 481.60858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(C(C#N)(C(=O)OC)C(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)N=C(C(C#N)(C(=O)OC)C(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C29H27N3O2S/c1-27(2,3)32-25(35-24-18-12-7-13-19-24)29(21-31,26(33)34-4)28(20-30,22-14-8-5-9-15-22)23-16-10-6-11-17-23/h5-19H,1-4H3