2-[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]phenyl]sulfanyl-2-methyl-propanoic acid

Systemtic Name: 2-[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]phenyl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]phenyl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[4-[2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]ethyl]phenyl]thio]-2-methylpropanoic acid IUPAC Name: 2-[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]phenyl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]phenyl]thio]-2-methyl-propionic acid Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SC1=CC=C(C=C1)CCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CC(C)(C(=O)O)SC1=CC=C(C=C1)CCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C27H27NO4S/c1-27(2,25(29)30)33-19-13-11-18(12-14-19)15-16-28-26(31)32-17-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-14,24H,15-17H2,1-2H3,(H,28,31)(H,29,30)