(2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(2,4-dimethylphenyl)thio]methyl]benzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(2,4-dimethylphenyl)thio]methyl]benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)OCC(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)OCC(=O)N3CCOCC3)C

InChI

InChI=1S/C22H25NO4S/c1-16-6-7-20(17(2)12-16)28-15-18-4-3-5-19(13-18)22(25)27-14-21(24)23-8-10-26-11-9-23/h3-7,12-13H,8-11,14-15H2,1-2H3