N,N-dimethyl-2-(3-methyl-5-sulfanyl-phenoxy)ethanamide; methyl 4-methyl-2-oxidanyl-benzoate

Systemtic Name: N,N-dimethyl-2-(3-methyl-5-sulfanyl-phenoxy)ethanamide; methyl 4-methyl-2-oxidanyl-benzoate Openeye Name: N,N-dimethyl-2-(3-methyl-5-sulfanyl-phenoxy)acetamide; methyl 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid methyl ester; 2-(3-mercapto-5-methylphenoxy)-N,N-dimethylacetamide IUPAC Name: N,N-dimethyl-2-(3-methyl-5-sulfanylphenoxy)acetamide; methyl 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid methyl ester; 2-(3-mercapto-5-methyl-phenoxy)-N,N-dimethyl-acetamide Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OC)O.CC1=CC(=CC(=C1)S)OCC(=O)N(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OC)O.CC1=CC(=CC(=C1)S)OCC(=O)N(C)C

InChI

InChI=1S/C11H15NO2S.C9H10O3/c1-8-4-9(6-10(15)5-8)14-7-11(13)12(2)3;1-6-3-4-7(8(10)5-6)9(11)12-2/h4-6,15H,7H2,1-3H3;3-5,10H,1-2H3