4-[2-[5-(dimethylaminomethyl)-2-methoxy-phenoxy]ethynyl]thian-4-ol

Systemtic Name: 4-[2-[5-(dimethylaminomethyl)-2-methoxy-phenoxy]ethynyl]thian-4-ol Openeye Name: 4-[2-[5-(dimethylaminomethyl)-2-methoxy-phenoxy]ethynyl]tetrahydrothiopyran-4-ol CAS Name: 4-[2-[5-(dimethylaminomethyl)-2-methoxyphenoxy]ethynyl]-4-thianol IUPAC Name: 4-[2-[5-(dimethylaminomethyl)-2-methoxyphenoxy]ethynyl]thian-4-ol Traditional Name: 4-[2-[5-(dimethylaminomethyl)-2-methoxy-phenoxy]ethynyl]tetrahydrothiopyran-4-ol Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=C(C=C1)OC)OC#CC2(CCSCC2)O

Isomeric SMILES

CN(C)CC1=CC(=C(C=C1)OC)OC#CC2(CCSCC2)O

InChI

InChI=1S/C17H23NO3S/c1-18(2)13-14-4-5-15(20-3)16(12-14)21-9-6-17(19)7-10-22-11-8-17/h4-5,12,19H,7-8,10-11,13H2,1-3H3