[2-methoxy-4-[(Z)-[[(2R)-oxolan-2-yl]methylcarbamothioylhydrazinylidene]methyl]phenyl] pyridine-4-carboxylate

Systemtic Name: [2-methoxy-4-[(Z)-[[(2R)-oxolan-2-yl]methylcarbamothioylhydrazinylidene]methyl]phenyl] pyridine-4-carboxylate Openeye Name: [2-methoxy-4-[(Z)-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioylhydrazono]methyl]phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-methoxy-4-[(Z)-[[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-[[(2R)-oxolan-2-yl]methylcarbamothioylhydrazinylidene]methyl]phenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-methoxy-4-[(Z)-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoylhydrazono]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=CC=NC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N\NC(=S)NC[C@H]2CCCO2)OC(=O)C3=CC=NC=C3

InChI

InChI=1S/C20H22N4O4S/c1-26-18-11-14(12-23-24-20(29)22-13-16-3-2-10-27-16)4-5-17(18)28-19(25)15-6-8-21-9-7-15/h4-9,11-12,16H,2-3,10,13H2,1H3,(H2,22,24,29)/b23-12-/t16-/m1/s1