2-[6-[(4-chloranyl-1-benzothiophen-2-yl)methyl]-5-oxidanylidene-pyrido[2,3-d]pyridazin-8-yl]ethanoic acid

Systemtic Name: 2-[6-[(4-chloranyl-1-benzothiophen-2-yl)methyl]-5-oxidanylidene-pyrido[2,3-d]pyridazin-8-yl]ethanoic acid Openeye Name: 2-[6-[(4-chlorobenzothiophen-2-yl)methyl]-5-oxo-pyrido[2,3-d]pyridazin-8-yl]acetic acid CAS Name: 2-[6-[(4-chloro-1-benzothiophen-2-yl)methyl]-5-oxo-8-pyrido[2,3-d]pyridazinyl]acetic acid IUPAC Name: 2-[6-[(4-chloro-1-benzothiophen-2-yl)methyl]-5-oxopyrido[2,3-d]pyridazin-8-yl]acetic acid Traditional Name: 2-[6-[(4-chlorobenzothiophen-2-yl)methyl]-5-keto-pyrido[2,3-d]pyridazin-8-yl]acetic acid Formula: C18H12ClN3O3S MolecularWeight: 385.82418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(S2)CN3C(=O)C4=C(C(=N3)CC(=O)O)N=CC=C4)C(=C1)Cl

Isomeric SMILES

C1=CC2=C(C=C(S2)CN3C(=O)C4=C(C(=N3)CC(=O)O)N=CC=C4)C(=C1)Cl

InChI

InChI=1S/C18H12ClN3O3S/c19-13-4-1-5-15-12(13)7-10(26-15)9-22-18(25)11-3-2-6-20-17(11)14(21-22)8-16(23)24/h1-7H,8-9H2,(H,23,24)