[2-methoxy-4-[(E)-(oxolan-2-ylmethylcarbamothioylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate

Systemtic Name: [2-methoxy-4-[(E)-(oxolan-2-ylmethylcarbamothioylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate Openeye Name: [2-methoxy-4-[(E)-(tetrahydrofuran-2-ylmethylcarbamothioylhydrazono)methyl]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-methoxy-4-[(E)-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(oxolan-2-ylmethylcarbamothioylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-methoxy-4-[(E)-(tetrahydrofurfurylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=S)NCC2CCCO2)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H22N4O4S/c1-26-18-10-14(11-23-24-20(29)22-13-16-5-3-9-27-16)6-7-17(18)28-19(25)15-4-2-8-21-12-15/h2,4,6-8,10-12,16H,3,5,9,13H2,1H3,(H2,22,24,29)/b23-11+