ethyl 2-[2-(octan-2-ylamino)-5-phenylazanyl-phenyl]sulfanylpropanoate

Systemtic Name: ethyl 2-[2-(octan-2-ylamino)-5-phenylazanyl-phenyl]sulfanylpropanoate Openeye Name: ethyl 2-[5-anilino-2-(1-methylheptylamino)phenyl]sulfanylpropanoate CAS Name: 2-[[5-anilino-2-(octan-2-ylamino)phenyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[5-anilino-2-(octan-2-ylamino)phenyl]sulfanylpropanoate Traditional Name: 2-[[5-anilino-2-(1-methylheptylamino)phenyl]thio]propionic acid ethyl ester Formula: C25H36N2O2S MolecularWeight: 428.63054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SC(C)C(=O)OCC

Isomeric SMILES

CCCCCCC(C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SC(C)C(=O)OCC

InChI

InChI=1S/C25H36N2O2S/c1-5-7-8-10-13-19(3)26-23-17-16-22(27-21-14-11-9-12-15-21)18-24(23)30-20(4)25(28)29-6-2/h9,11-12,14-20,26-27H,5-8,10,13H2,1-4H3