(3-chloranyl-1-benzothiophen-2-yl)methyl 6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxylate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxylate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate CAS Name: 6-oxo-1-(2-phenoxyethyl)-3-pyridazinecarboxylic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate Traditional Name: 6-keto-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C22H17ClN2O4S MolecularWeight: 440.89938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCN2C(=O)C=CC(=N2)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCCN2C(=O)C=CC(=N2)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H17ClN2O4S/c23-21-16-8-4-5-9-18(16)30-19(21)14-29-22(27)17-10-11-20(26)25(24-17)12-13-28-15-6-2-1-3-7-15/h1-11H,12-14H2