[4-[(oxolan-2-ylmethylcarbamothioylhydrazinylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [4-[(oxolan-2-ylmethylcarbamothioylhydrazinylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate Openeye Name: [4-[(tetrahydrofuran-2-ylmethylcarbamothioylhydrazono)methyl]phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-[[[(2-oxolanylmethylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(oxolan-2-ylmethylcarbamothioylhydrazinylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [4-[(tetrahydrofurfurylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)C=NNC(=S)NCC3CCCO3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)C=NNC(=S)NCC3CCCO3

InChI

InChI=1S/C23H27N3O6S/c1-28-19-11-16(12-20(29-2)21(19)30-3)22(27)32-17-8-6-15(7-9-17)13-25-26-23(33)24-14-18-5-4-10-31-18/h6-9,11-13,18H,4-5,10,14H2,1-3H3,(H2,24,26,33)