1-[3-[4-methoxy-3-(3-phenylprop-2-ynoxy)phenyl]-4-methyl-pyrrolidin-1-yl]-2-sulfanyl-ethanone

Systemtic Name: 1-[3-[4-methoxy-3-(3-phenylprop-2-ynoxy)phenyl]-4-methyl-pyrrolidin-1-yl]-2-sulfanyl-ethanone Openeye Name: 1-[3-[4-methoxy-3-(3-phenylprop-2-ynoxy)phenyl]-4-methyl-pyrrolidin-1-yl]-2-sulfanyl-ethanone CAS Name: 2-mercapto-1-[3-[4-methoxy-3-(3-phenylprop-2-ynoxy)phenyl]-4-methyl-1-pyrrolidinyl]ethanone IUPAC Name: 1-[3-[4-methoxy-3-(3-phenylprop-2-ynoxy)phenyl]-4-methylpyrrolidin-1-yl]-2-sulfanylethanone Traditional Name: 2-mercapto-1-[3-[4-methoxy-3-(3-phenylprop-2-ynoxy)phenyl]-4-methyl-pyrrolidino]ethanone Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC1C2=CC(=C(C=C2)OC)OCC#CC3=CC=CC=C3)C(=O)CS

Isomeric SMILES

CC1CN(CC1C2=CC(=C(C=C2)OC)OCC#CC3=CC=CC=C3)C(=O)CS

InChI

InChI=1S/C23H25NO3S/c1-17-14-24(23(25)16-28)15-20(17)19-10-11-21(26-2)22(13-19)27-12-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,17,20,28H,12,14-16H2,1-2H3