[4-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [4-[(E)-(pyridin-3-ylcarbonylhydrazinylidene)methyl]phenyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [4-[(E)-(pyridine-3-carbonylhydrazono)methyl]phenyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [4-[(E)-[[oxo(3-pyridinyl)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [4-[(E)-(nicotinoylhydrazono)methyl]phenyl] ester Formula: C22H14ClN3O3S MolecularWeight: 435.88286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)OC3=CC=C(C=C3)C=NNC(=O)C4=CN=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)OC3=CC=C(C=C3)/C=N/NC(=O)C4=CN=CC=C4)Cl

InChI

InChI=1S/C22H14ClN3O3S/c23-19-17-5-1-2-6-18(17)30-20(19)22(28)29-16-9-7-14(8-10-16)12-25-26-21(27)15-4-3-11-24-13-15/h1-13H,(H,26,27)/b25-12+