2-(3,5-dimethylphenoxy)ethyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)C2=CC=CC=C2SCC(=O)N(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)C2=CC=CC=C2SCC(=O)N(C)C)C

InChI

InChI=1S/C21H25NO4S/c1-15-11-16(2)13-17(12-15)25-9-10-26-21(24)18-7-5-6-8-19(18)27-14-20(23)22(3)4/h5-8,11-13H,9-10,14H2,1-4H3