[2-methoxy-4-[(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] 3,5-dimethoxybenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=S)NCC=C)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=S)NCC=C)OC)OC

InChI

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