[2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate

Systemtic Name: [2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-(allylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-methoxy-4-[(E)-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-(allylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=S)NCC=C)OC

InChI

InChI=1S/C20H21N3O4S/c1-4-11-21-20(28)23-22-13-14-5-10-17(18(12-14)26-3)27-19(24)15-6-8-16(25-2)9-7-15/h4-10,12-13H,1,11H2,2-3H3,(H2,21,23,28)/b22-13+