[(2S,3R,6R)-2-methyl-6-[3-(2-phenyl-1-benzothiophen-3-yl)prop-2-ynoxy]oxan-3-yl] ethanoate

Systemtic Name: [(2S,3R,6R)-2-methyl-6-[3-(2-phenyl-1-benzothiophen-3-yl)prop-2-ynoxy]oxan-3-yl] ethanoate Openeye Name: [(2S,3R,6R)-2-methyl-6-[3-(2-phenylbenzothiophen-3-yl)prop-2-ynoxy]tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R,6R)-2-methyl-6-[3-(2-phenyl-1-benzothiophen-3-yl)prop-2-ynoxy]-3-oxanyl] ester IUPAC Name: [(2S,3R,6R)-2-methyl-6-[3-(2-phenyl-1-benzothiophen-3-yl)prop-2-ynoxy]oxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,6R)-2-methyl-6-[3-(2-phenylbenzothiophen-3-yl)prop-2-ynoxy]tetrahydropyran-3-yl] ester Formula: C25H24O4S MolecularWeight: 420.52066

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC(O1)OCC#CC2=C(SC3=CC=CC=C32)C4=CC=CC=C4)OC(=O)C

Isomeric SMILES

C[C@H]1[C@@H](CC[C@@H](O1)OCC#CC2=C(SC3=CC=CC=C32)C4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C25H24O4S/c1-17-22(29-18(2)26)14-15-24(28-17)27-16-8-12-21-20-11-6-7-13-23(20)30-25(21)19-9-4-3-5-10-19/h3-7,9-11,13,17,22,24H,14-16H2,1-2H3/t17-,22+,24+/m0/s1