4-methyl-2-[(4-oxidanyl-3-pent-2-ynyl-5-phenoxy-phenyl)methyl]thiomorpholin-3-one

Systemtic Name: 4-methyl-2-[(4-oxidanyl-3-pent-2-ynyl-5-phenoxy-phenyl)methyl]thiomorpholin-3-one Openeye Name: 2-[(4-hydroxy-3-pent-2-ynyl-5-phenoxy-phenyl)methyl]-4-methyl-thiomorpholin-3-one CAS Name: 2-[(4-hydroxy-3-pent-2-ynyl-5-phenoxyphenyl)methyl]-4-methyl-3-thiomorpholinone IUPAC Name: 2-[(4-hydroxy-3-pent-2-ynyl-5-phenoxyphenyl)methyl]-4-methylthiomorpholin-3-one Traditional Name: 2-(4-hydroxy-3-pent-2-ynyl-5-phenoxy-benzyl)-4-methyl-thiomorpholin-3-one Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCC1=C(C(=CC(=C1)CC2C(=O)N(CCS2)C)OC3=CC=CC=C3)O

Isomeric SMILES

CCC#CCC1=C(C(=CC(=C1)CC2C(=O)N(CCS2)C)OC3=CC=CC=C3)O

InChI

InChI=1S/C23H25NO3S/c1-3-4-6-9-18-14-17(16-21-23(26)24(2)12-13-28-21)15-20(22(18)25)27-19-10-7-5-8-11-19/h5,7-8,10-11,14-15,21,25H,3,9,12-13,16H2,1-2H3