(2,6-dimethoxy-4-morpholin-4-ylcarbothioyl-phenyl) benzoate

Systemtic Name: (2,6-dimethoxy-4-morpholin-4-ylcarbothioyl-phenyl) benzoate Openeye Name: [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] benzoate CAS Name: benzoic acid [2,6-dimethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] benzoate Traditional Name: benzoic acid [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2)OC)C(=S)N3CCOCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2)OC)C(=S)N3CCOCC3

InChI

InChI=1S/C20H21NO5S/c1-23-16-12-15(19(27)21-8-10-25-11-9-21)13-17(24-2)18(16)26-20(22)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3