methyl 4-[[4-[(E)-(oxolan-2-ylmethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(E)-(oxolan-2-ylmethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[(E)-(tetrahydrofuran-2-ylmethylcarbamothioylhydrazono)methyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[(E)-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(E)-(oxolan-2-ylmethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-(tetrahydrofurfurylthiocarbamoylhydrazono)methyl]phenoxy]methyl]benzoic acid methyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NNC(=S)NCC3CCCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=S)NCC3CCCO3

InChI

InChI=1S/C22H25N3O4S/c1-27-21(26)18-8-4-17(5-9-18)15-29-19-10-6-16(7-11-19)13-24-25-22(30)23-14-20-3-2-12-28-20/h4-11,13,20H,2-3,12,14-15H2,1H3,(H2,23,25,30)/b24-13+