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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1)C(=O)C(C2=CC(=C(C=C2)OC)OCC#CC3=CC=CC=C3)S

Isomeric SMILES

CC1CCN(C1)C(=O)C(C2=CC(=C(C=C2)OC)OCC#CC3=CC=CC=C3)S

InChI

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