tert-butyl (2S)-2-[(9-phenylfluoren-9-yl)amino]-4-thiocyanato-butanoate

Systemtic Name: tert-butyl (2S)-2-[(9-phenylfluoren-9-yl)amino]-4-thiocyanato-butanoate Openeye Name: tert-butyl (2S)-2-[(9-phenylfluoren-9-yl)amino]-4-thiocyanato-butanoate CAS Name: (2S)-2-[(9-phenyl-9-fluorenyl)amino]-4-thiocyanatobutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(9-phenylfluoren-9-yl)amino]-4-thiocyanatobutanoate Traditional Name: (2S)-2-[(9-phenylfluoren-9-yl)amino]-4-thiocyanato-butyric acid tert-butyl ester Formula: C28H28N2O2S MolecularWeight: 456.59912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCSC#N)NC1(C2=CC=CC=C2C3=CC=CC=C31)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CCSC#N)NC1(C2=CC=CC=C2C3=CC=CC=C31)C4=CC=CC=C4

InChI

InChI=1S/C28H28N2O2S/c1-27(2,3)32-26(31)25(17-18-33-19-29)30-28(20-11-5-4-6-12-20)23-15-9-7-13-21(23)22-14-8-10-16-24(22)28/h4-16,25,30H,17-18H2,1-3H3/t25-/m0/s1