ethyl 4-acetamido-3-[2,6-dimethyl-4-[(4-oxidanylthian-4-yl)methoxy]phenyl]benzoate

Systemtic Name: ethyl 4-acetamido-3-[2,6-dimethyl-4-[(4-oxidanylthian-4-yl)methoxy]phenyl]benzoate Openeye Name: ethyl 4-acetamido-3-[4-[(4-hydroxytetrahydrothiopyran-4-yl)methoxy]-2,6-dimethyl-phenyl]benzoate CAS Name: 4-acetamido-3-[4-[(4-hydroxy-4-thianyl)methoxy]-2,6-dimethylphenyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-acetamido-3-[4-[(4-hydroxythian-4-yl)methoxy]-2,6-dimethylphenyl]benzoate Traditional Name: 4-acetamido-3-[4-[(4-hydroxytetrahydrothiopyran-4-yl)methoxy]-2,6-dimethyl-phenyl]benzoic acid ethyl ester Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C)C2=C(C=C(C=C2C)OCC3(CCSCC3)O)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C)C2=C(C=C(C=C2C)OCC3(CCSCC3)O)C

InChI

InChI=1S/C25H31NO5S/c1-5-30-24(28)19-6-7-22(26-18(4)27)21(14-19)23-16(2)12-20(13-17(23)3)31-15-25(29)8-10-32-11-9-25/h6-7,12-14,29H,5,8-11,15H2,1-4H3,(H,26,27)