S-(2-methanoyl-4-nitro-phenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanethioate

Systemtic Name: S-(2-methanoyl-4-nitro-phenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanethioate Openeye Name: S-(2-formyl-4-nitro-phenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanethioate CAS Name: (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-methylbutanethioic acid S-(2-formyl-4-nitrophenyl) ester IUPAC Name: S-(2-formyl-4-nitrophenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanethioate Traditional Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanethioic acid S-(2-formyl-4-nitro-phenyl) ester Formula: C27H24N2O6S MolecularWeight: 504.55426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)SC1=C(C=C(C=C1)[N+](=O)[O-])C=O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CC(C)[C@@H](C(=O)SC1=C(C=C(C=C1)[N+](=O)[O-])C=O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C27H24N2O6S/c1-16(2)25(26(31)36-24-12-11-18(29(33)34)13-17(24)14-30)28-27(32)35-15-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-14,16,23,25H,15H2,1-2H3,(H,28,32)/t25-/m0/s1