2,3-dimethoxy-6-[(Z)-[[(2R)-oxolan-2-yl]methylcarbamothioylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 2,3-dimethoxy-6-[(Z)-[[(2R)-oxolan-2-yl]methylcarbamothioylhydrazinylidene]methyl]benzoic acid Openeye Name: 2,3-dimethoxy-6-[(Z)-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioylhydrazono]methyl]benzoic acid CAS Name: 2,3-dimethoxy-6-[(Z)-[[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 2,3-dimethoxy-6-[(Z)-[[(2R)-oxolan-2-yl]methylcarbamothioylhydrazinylidene]methyl]benzoic acid Traditional Name: 2,3-dimethoxy-6-[(Z)-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoylhydrazono]methyl]benzoic acid Formula: C16H21N3O5S MolecularWeight: 367.42004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=NNC(=S)NCC2CCCO2)C(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5S/c1-22-12-6-5-10(13(15(20)21)14(12)23-2)8-18-19-16(25)17-9-11-4-3-7-24-11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,20,21)(H2,17,19,25)/b18-8-/t11-/m1/s1