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

Systemtic Name: (2-ethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 3,4,5-trimethoxybenzoate Openeye Name: [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-ethoxy-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C23H27NO7S MolecularWeight: 461.52798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCOCC2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C23H27NO7S/c1-5-30-18-12-15(22(32)24-8-10-29-11-9-24)6-7-17(18)31-23(25)16-13-19(26-2)21(28-4)20(14-16)27-3/h6-7,12-14H,5,8-11H2,1-4H3