4-[2-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]ethynyl]thian-4-ol

Systemtic Name: 4-[2-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]ethynyl]thian-4-ol Openeye Name: 4-[2-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]ethynyl]tetrahydrothiopyran-4-ol CAS Name: 4-[2-[2-methoxy-5-(1-pyrrolidinylmethyl)phenoxy]ethynyl]-4-thianol IUPAC Name: 4-[2-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]ethynyl]thian-4-ol Traditional Name: 4-[2-[2-methoxy-5-(pyrrolidinomethyl)phenoxy]ethynyl]tetrahydrothiopyran-4-ol Formula: C19H25NO3S MolecularWeight: 347.4717

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCCC2)OC#CC3(CCSCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCCC2)OC#CC3(CCSCC3)O

InChI

InChI=1S/C19H25NO3S/c1-22-17-5-4-16(15-20-9-2-3-10-20)14-18(17)23-11-6-19(21)7-12-24-13-8-19/h4-5,14,21H,2-3,7-10,12-13,15H2,1H3