(2-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 3,5-dimethoxybenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OC2=C(C=C(C=C2)C(=S)N3CCOCC3)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OC2=C(C=C(C=C2)C(=S)N3CCOCC3)OC)OC

InChI

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