tert-butyl (4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-isothiocyanato-pentanoate

Systemtic Name: tert-butyl (4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-isothiocyanato-pentanoate Openeye Name: tert-butyl (4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-isothiocyanato-pentanoate CAS Name: (4S)-4-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-5-isothiocyanatopentanoic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-isothiocyanatopentanoate Traditional Name: (4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-isothiocyanato-valeric acid tert-butyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(CN=C=S)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](CN=C=S)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C25H28N2O4S/c1-25(2,3)31-23(28)13-12-17(14-26-16-32)27-24(29)30-15-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,17,22H,12-15H2,1-3H3,(H,27,29)/t17-/m0/s1