ethyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[5-phenylazanyl-2-(propan-2-ylamino)phenyl]sulfanyl-propanoate

Systemtic Name: ethyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[5-phenylazanyl-2-(propan-2-ylamino)phenyl]sulfanyl-propanoate Openeye Name: ethyl 3-[5-anilino-2-(isopropylamino)phenyl]sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate CAS Name: 3-[[5-anilino-2-(propan-2-ylamino)phenyl]thio]-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-anilino-2-(propan-2-ylamino)phenyl]sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate Traditional Name: 3-[[5-anilino-2-(isopropylamino)phenyl]thio]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid ethyl ester Formula: C35H37N3O4S MolecularWeight: 595.75098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC1=C(C=CC(=C1)NC2=CC=CC=C2)NC(C)C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CCOC(=O)C(CSC1=C(C=CC(=C1)NC2=CC=CC=C2)NC(C)C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C35H37N3O4S/c1-4-41-34(39)32(22-43-33-20-25(18-19-31(33)36-23(2)3)37-24-12-6-5-7-13-24)38-35(40)42-21-30-28-16-10-8-14-26(28)27-15-9-11-17-29(27)30/h5-20,23,30,32,36-37H,4,21-22H2,1-3H3,(H,38,40)