2-[3-[9H-fluoren-9-yl(methoxycarbonyl)amino]propylsulfanyl]benzoic acid

Systemtic Name: 2-[3-[9H-fluoren-9-yl(methoxycarbonyl)amino]propylsulfanyl]benzoic acid Openeye Name: 2-[3-[9H-fluoren-9-yl(methoxycarbonyl)amino]propylsulfanyl]benzoic acid CAS Name: 2-[3-[9H-fluoren-9-yl(methoxycarbonyl)amino]propylthio]benzoic acid IUPAC Name: 2-[3-[9H-fluoren-9-yl(methoxycarbonyl)amino]propylsulfanyl]benzoic acid Traditional Name: 2-[3-[carbomethoxy(9H-fluoren-9-yl)amino]propylthio]benzoic acid Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N(CCCSC1=CC=CC=C1C(=O)O)C2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

COC(=O)N(CCCSC1=CC=CC=C1C(=O)O)C2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C25H23NO4S/c1-30-25(29)26(15-8-16-31-22-14-7-6-13-21(22)24(27)28)23-19-11-4-2-9-17(19)18-10-3-5-12-20(18)23/h2-7,9-14,23H,8,15-16H2,1H3,(H,27,28)