[2-[2-(pentan-3-ylamino)ethylsulfanyl]-2-phenyl-ethyl] propanoate

Systemtic Name: [2-[2-(pentan-3-ylamino)ethylsulfanyl]-2-phenyl-ethyl] propanoate Openeye Name: [2-[2-(1-ethylpropylamino)ethylsulfanyl]-2-phenyl-ethyl] propanoate CAS Name: propanoic acid [2-[2-(pentan-3-ylamino)ethylthio]-2-phenylethyl] ester IUPAC Name: [2-[2-(pentan-3-ylamino)ethylsulfanyl]-2-phenylethyl] propanoate Traditional Name: propionic acid [2-[2-(1-ethylpropylamino)ethylthio]-2-phenyl-ethyl] ester Formula: C18H29NO2S MolecularWeight: 323.49336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCCSC(COC(=O)CC)C1=CC=CC=C1

Isomeric SMILES

CCC(CC)NCCSC(COC(=O)CC)C1=CC=CC=C1

InChI

InChI=1S/C18H29NO2S/c1-4-16(5-2)19-12-13-22-17(14-21-18(20)6-3)15-10-8-7-9-11-15/h7-11,16-17,19H,4-6,12-14H2,1-3H3