[4-[(E)-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] 2-methoxybenzoate

Systemtic Name: [4-[(E)-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] 2-methoxybenzoate Openeye Name: [4-[(E)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazono]methyl]-2-methoxy-phenyl] 2-methoxybenzoate CAS Name: 2-methoxybenzoic acid [4-[(E)-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methoxybenzoate Traditional Name: 2-methoxybenzoic acid [4-[(E)-[[2-(1H-benzimidazol-2-ylthio)acetyl]hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C25H22N4O5S MolecularWeight: 490.53098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)C=NNC(=O)CSC3=NC4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)CSC3=NC4=CC=CC=C4N3)OC

InChI

InChI=1S/C25H22N4O5S/c1-32-20-10-6-3-7-17(20)24(31)34-21-12-11-16(13-22(21)33-2)14-26-29-23(30)15-35-25-27-18-8-4-5-9-19(18)28-25/h3-14H,15H2,1-2H3,(H,27,28)(H,29,30)/b26-14+