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

Systemtic Name: (3-morpholin-4-ylcarbothioylphenyl) 3,4,5-trimethoxybenzoate Openeye Name: [3-(morpholine-4-carbothioyl)phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [3-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [3-(morpholine-4-carbothioyl)phenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [3-(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(=C2)C(=S)N3CCOCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=CC(=C2)C(=S)N3CCOCC3

InChI

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