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

Systemtic Name: [2-methoxy-4-[(oxolan-2-ylmethylcarbamothioylhydrazinylidene)methyl]phenyl] 2-chloranylbenzoate Openeye Name: [2-methoxy-4-[(tetrahydrofuran-2-ylmethylcarbamothioylhydrazono)methyl]phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [2-methoxy-4-[[[(2-oxolanylmethylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(oxolan-2-ylmethylcarbamothioylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [2-methoxy-4-[(tetrahydrofurfurylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)NCC2CCCO2)OC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C=NNC(=S)NCC2CCCO2)OC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClN3O4S/c1-27-19-11-14(12-24-25-21(30)23-13-15-5-4-10-28-15)8-9-18(19)29-20(26)16-6-2-3-7-17(16)22/h2-3,6-9,11-12,15H,4-5,10,13H2,1H3,(H2,23,25,30)