[2-methoxy-4-[(oxolan-2-ylmethylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate

Systemtic Name: [2-methoxy-4-[(oxolan-2-ylmethylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate Openeye Name: [2-methoxy-4-[(tetrahydrofuran-2-ylmethylcarbamothioylhydrazono)methyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-methoxy-4-[[[(2-oxolanylmethylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(oxolan-2-ylmethylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-methoxy-4-[(tetrahydrofurfurylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=S)NCC3CCCO3)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=S)NCC3CCCO3)OC

InChI

InChI=1S/C22H25N3O5S/c1-27-17-8-6-16(7-9-17)21(26)30-19-10-5-15(12-20(19)28-2)13-24-25-22(31)23-14-18-4-3-11-29-18/h5-10,12-13,18H,3-4,11,14H2,1-2H3,(H2,23,25,31)