S-(4-methylphenyl) (2S,3S)-2-bromanyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanethioate

Systemtic Name: S-(4-methylphenyl) (2S,3S)-2-bromanyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanethioate Openeye Name: S-(p-tolyl) (2S,3S)-2-bromo-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanethioate CAS Name: (2S,3S)-2-bromo-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]butanethioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) (2S,3S)-2-bromo-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanethioate Traditional Name: (2S,3S)-2-bromo-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanethioic acid S-(p-tolyl) ester Formula: C26H24BrNO3S MolecularWeight: 510.44266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C(C(C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)Br

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)[C@H]([C@H](C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)Br

InChI

InChI=1S/C26H24BrNO3S/c1-16-11-13-18(14-12-16)32-25(29)24(27)17(2)28-26(30)31-15-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-14,17,23-24H,15H2,1-2H3,(H,28,30)/t17-,24-/m0/s1