methyl 3-[[4-[ethyl(9H-fluoren-9-ylmethoxycarbonylcarbamothioyl)amino]phenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[4-[ethyl(9H-fluoren-9-ylmethoxycarbonylcarbamothioyl)amino]phenyl]carbonylamino]propanoate Openeye Name: methyl 3-[[4-[ethyl(9H-fluoren-9-ylmethoxycarbonylcarbamothioyl)amino]benzoyl]amino]propanoate CAS Name: 3-[[[4-[ethyl-[[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-sulfanylidenemethyl]amino]phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[4-[ethyl(9H-fluoren-9-ylmethoxycarbonylcarbamothioyl)amino]benzoyl]amino]propanoate Traditional Name: 3-[[4-[ethyl(9H-fluoren-9-ylmethoxycarbonylthiocarbamoyl)amino]benzoyl]amino]propionic acid methyl ester Formula: C29H29N3O5S MolecularWeight: 531.62266

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)NCCC(=O)OC)C(=S)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)NCCC(=O)OC)C(=S)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C29H29N3O5S/c1-3-32(20-14-12-19(13-15-20)27(34)30-17-16-26(33)36-2)28(38)31-29(35)37-18-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-15,25H,3,16-18H2,1-2H3,(H,30,34)(H,31,35,38)