6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-(1,3-dithian-2-yl)-1-phenyl-hex-4-yn-1-ol

Systemtic Name: 6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-(1,3-dithian-2-yl)-1-phenyl-hex-4-yn-1-ol Openeye Name: 6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-(1,3-dithian-2-yl)-1-phenyl-hex-4-yn-1-ol CAS Name: 6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-(1,3-dithian-2-yl)-1-phenyl-4-hexyn-1-ol IUPAC Name: 6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-(1,3-dithian-2-yl)-1-phenylhex-4-yn-1-ol Traditional Name: 1-(1,3-dithian-2-yl)-6-[homoveratryl(methyl)amino]-1-phenyl-hex-4-yn-1-ol Formula: C27H35NO3S2 MolecularWeight: 485.7017

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)CC#CCCC(C2SCCCS2)(C3=CC=CC=C3)O

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)CC#CCCC(C2SCCCS2)(C3=CC=CC=C3)O

InChI

InChI=1S/C27H35NO3S2/c1-28(18-15-22-13-14-24(30-2)25(21-22)31-3)17-9-5-8-16-27(29,23-11-6-4-7-12-23)26-32-19-10-20-33-26/h4,6-7,11-14,21,26,29H,8,10,15-20H2,1-3H3