(3-chloranyl-1-benzothiophen-2-yl)methyl 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 2-(3-methyl-4-oxo-phthalazin-1-yl)acetate CAS Name: 2-(3-methyl-4-oxo-1-phthalazinyl)acetic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)acetic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C20H15ClN2O3S MolecularWeight: 398.8627

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)OCC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)OCC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H15ClN2O3S/c1-23-20(25)13-7-3-2-6-12(13)15(22-23)10-18(24)26-11-17-19(21)14-8-4-5-9-16(14)27-17/h2-9H,10-11H2,1H3