[4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate Openeye Name: [4-[(E)-(allylcarbamothioylhydrazono)methyl]phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-[(E)-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [4-[(E)-(allylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)C=NNC(=S)NCC=C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)/C=N/NC(=S)NCC=C

InChI

InChI=1S/C21H23N3O5S/c1-5-10-22-21(30)24-23-13-14-6-8-16(9-7-14)29-20(25)15-11-17(26-2)19(28-4)18(12-15)27-3/h5-9,11-13H,1,10H2,2-4H3,(H2,22,24,30)/b23-13+