[2-bromanyl-6-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate

Systemtic Name: [2-bromanyl-6-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate Openeye Name: [4-[(E)-(allylcarbamothioylhydrazono)methyl]-2-bromo-6-methoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-bromo-6-methoxy-4-[(E)-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-bromo-6-methoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(E)-(allylthiocarbamoylhydrazono)methyl]-2-bromo-6-methoxy-phenyl] ester Formula: C17H16BrN3O3S2 MolecularWeight: 454.36124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=S)NCC=C)Br)OC(=O)C2=CC=CS2

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=S)NCC=C)Br)OC(=O)C2=CC=CS2

InChI

InChI=1S/C17H16BrN3O3S2/c1-3-6-19-17(25)21-20-10-11-8-12(18)15(13(9-11)23-2)24-16(22)14-5-4-7-26-14/h3-5,7-10H,1,6H2,2H3,(H2,19,21,25)/b20-10+