(3-chloranyl-1-benzothiophen-2-yl)methyl 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C20H15ClN2O3S MolecularWeight: 398.8627

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H15ClN2O3S/c1-2-23-19(24)13-8-4-3-7-12(13)18(22-23)20(25)26-11-16-17(21)14-9-5-6-10-15(14)27-16/h3-10H,2,11H2,1H3