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

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S/c1-15(2)23-21(24)14-28-20-8-6-5-7-19(20)22(25)27-10-9-26-18-12-16(3)11-17(4)13-18/h5-8,11-13,15H,9-10,14H2,1-4H3,(H,23,24)