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

Systemtic Name: (2-methoxy-4-morpholin-4-ylcarbothioyl-phenyl) 3,4,5-trimethoxybenzoate Openeye Name: [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-methoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-methoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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