[1,1-bis(oxidanylidene)-1-benzothiophen-2-yl]methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoate

Systemtic Name: [1,1-bis(oxidanylidene)-1-benzothiophen-2-yl]methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoate Openeye Name: (1,1-dioxobenzothiophen-2-yl)methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoate CAS Name: (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-methylpentanoic acid (1,1-dioxo-1-benzothiophen-2-yl)methyl ester IUPAC Name: (1,1-dioxo-1-benzothiophen-2-yl)methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoate Traditional Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methyl-valeric acid (1,1-diketobenzothiophen-2-yl)methyl ester Formula: C30H29NO6S MolecularWeight: 531.61936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC2=CC=CC=C2S1(=O)=O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC1=CC2=CC=CC=C2S1(=O)=O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C30H29NO6S/c1-19(2)15-27(29(32)36-17-21-16-20-9-3-8-14-28(20)38(21,34)35)31-30(33)37-18-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h3-14,16,19,26-27H,15,17-18H2,1-2H3,(H,31,33)/t27-/m0/s1