(2-morpholin-4-ylcarbothioylphenyl) 3,4,5-trimethoxybenzoate

Systemtic Name: (2-morpholin-4-ylcarbothioylphenyl) 3,4,5-trimethoxybenzoate Openeye Name: [2-(morpholine-4-carbothioyl)phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-(morpholine-4-carbothioyl)phenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-(morpholine-4-carbothioyl)phenyl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=CC=C2C(=S)N3CCOCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=CC=C2C(=S)N3CCOCC3

InChI

InChI=1S/C21H23NO6S/c1-24-17-12-14(13-18(25-2)19(17)26-3)21(23)28-16-7-5-4-6-15(16)20(29)22-8-10-27-11-9-22/h4-7,12-13H,8-11H2,1-3H3