2-[3-[(4-chloranyl-1-benzothiophen-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(4-chloranyl-1-benzothiophen-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-[(4-chlorobenzothiophen-2-yl)methyl]-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-[(4-chloro-1-benzothiophen-2-yl)methyl]-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-[(4-chloro-1-benzothiophen-2-yl)methyl]-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-[(4-chlorobenzothiophen-2-yl)methyl]-4-keto-phthalazin-1-yl]acetic acid Formula: C19H13ClN2O3S MolecularWeight: 384.83612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC4=C(S3)C=CC=C4Cl)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC4=C(S3)C=CC=C4Cl)CC(=O)O

InChI

InChI=1S/C19H13ClN2O3S/c20-15-6-3-7-17-14(15)8-11(26-17)10-22-19(25)13-5-2-1-4-12(13)16(21-22)9-18(23)24/h1-8H,9-10H2,(H,23,24)