pyridazin-4-yl 6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)-1-benzothiophene-2-carboxylate

Systemtic Name: pyridazin-4-yl 6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)-1-benzothiophene-2-carboxylate Openeye Name: pyridazin-4-yl 6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)benzothiophene-2-carboxylate CAS Name: 6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-1-benzothiophene-2-carboxylic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-1-benzothiophene-2-carboxylate Traditional Name: 6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)benzothiophene-2-carboxylic acid pyridazin-4-yl ester Formula: C23H17ClN2O3S MolecularWeight: 436.91068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=C(SC3=C2C=CC(=C3)Cl)C(=O)OC4=CN=NC=C4)C5CC5

Isomeric SMILES

CC1=CC=CC(=C1OC2=C(SC3=C2C=CC(=C3)Cl)C(=O)OC4=CN=NC=C4)C5CC5

InChI

InChI=1S/C23H17ClN2O3S/c1-13-3-2-4-17(14-5-6-14)20(13)29-21-18-8-7-15(24)11-19(18)30-22(21)23(27)28-16-9-10-25-26-12-16/h2-4,7-12,14H,5-6H2,1H3