2,4-dimethyl-2-(4-oxidanyl-3-pent-2-ynyl-5-phenoxy-phenyl)thiomorpholin-3-one

Systemtic Name: 2,4-dimethyl-2-(4-oxidanyl-3-pent-2-ynyl-5-phenoxy-phenyl)thiomorpholin-3-one Openeye Name: 2-(4-hydroxy-3-pent-2-ynyl-5-phenoxy-phenyl)-2,4-dimethyl-thiomorpholin-3-one CAS Name: 2-(4-hydroxy-3-pent-2-ynyl-5-phenoxyphenyl)-2,4-dimethyl-3-thiomorpholinone IUPAC Name: 2-(4-hydroxy-3-pent-2-ynyl-5-phenoxyphenyl)-2,4-dimethylthiomorpholin-3-one Traditional Name: 2-(4-hydroxy-3-pent-2-ynyl-5-phenoxy-phenyl)-2,4-dimethyl-thiomorpholin-3-one Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCC1=C(C(=CC(=C1)C2(C(=O)N(CCS2)C)C)OC3=CC=CC=C3)O

Isomeric SMILES

CCC#CCC1=C(C(=CC(=C1)C2(C(=O)N(CCS2)C)C)OC3=CC=CC=C3)O

InChI

InChI=1S/C23H25NO3S/c1-4-5-7-10-17-15-18(23(2)22(26)24(3)13-14-28-23)16-20(21(17)25)27-19-11-8-6-9-12-19/h6,8-9,11-12,15-16,25H,4,10,13-14H2,1-3H3