(2,6-dimethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 3,4-dimethoxybenzoate

Systemtic Name: (2,6-dimethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 3,4-dimethoxybenzoate Openeye Name: [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2,6-dimethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2OC)C(=S)N3CCOCC3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2OC)C(=S)N3CCOCC3)OC)OC

InChI

InChI=1S/C22H25NO7S/c1-25-16-6-5-14(11-17(16)26-2)22(24)30-20-18(27-3)12-15(13-19(20)28-4)21(31)23-7-9-29-10-8-23/h5-6,11-13H,7-10H2,1-4H3