(3,5-dimethylphenyl)methyl 2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C2=CC=CC=C2SCC(=O)NCCOC)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)C2=CC=CC=C2SCC(=O)NCCOC)C

InChI

InChI=1S/C21H25NO4S/c1-15-10-16(2)12-17(11-15)13-26-21(24)18-6-4-5-7-19(18)27-14-20(23)22-8-9-25-3/h4-7,10-12H,8-9,13-14H2,1-3H3,(H,22,23)