methyl 4-[[2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[(E)-(allylcarbamothioylhydrazono)methyl]-2-methoxy-phenoxy]methyl]benzoate CAS Name: 4-[[2-methoxy-4-[(E)-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-(allylthiocarbamoylhydrazono)methyl]-2-methoxy-phenoxy]methyl]benzoic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)NCC=C)OCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=S)NCC=C)OCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H23N3O4S/c1-4-11-22-21(29)24-23-13-16-7-10-18(19(12-16)26-2)28-14-15-5-8-17(9-6-15)20(25)27-3/h4-10,12-13H,1,11,14H2,2-3H3,(H2,22,24,29)/b23-13+