5-(5-chloranyl-1-thiophen-2-yl-3H-2-benzofuran-1-yl)-2-ethyl-2-(methylamino)pentanoic acid

Systemtic Name: 5-(5-chloranyl-1-thiophen-2-yl-3H-2-benzofuran-1-yl)-2-ethyl-2-(methylamino)pentanoic acid Openeye Name: 5-[5-chloro-1-(2-thienyl)-3H-isobenzofuran-1-yl]-2-ethyl-2-(methylamino)pentanoic acid CAS Name: 5-(5-chloro-1-thiophen-2-yl-3H-isobenzofuran-1-yl)-2-ethyl-2-(methylamino)pentanoic acid IUPAC Name: 5-(5-chloro-1-thiophen-2-yl-3H-2-benzofuran-1-yl)-2-ethyl-2-(methylamino)pentanoic acid Traditional Name: 5-[5-chloro-1-(2-thienyl)phthalan-1-yl]-2-ethyl-2-(methylamino)valeric acid Formula: C20H24ClNO3S MolecularWeight: 393.92746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC1(C2=C(CO1)C=C(C=C2)Cl)C3=CC=CS3)(C(=O)O)NC

Isomeric SMILES

CCC(CCCC1(C2=C(CO1)C=C(C=C2)Cl)C3=CC=CS3)(C(=O)O)NC

InChI

InChI=1S/C20H24ClNO3S/c1-3-19(22-2,18(23)24)9-5-10-20(17-6-4-11-26-17)16-8-7-15(21)12-14(16)13-25-20/h4,6-8,11-12,22H,3,5,9-10,13H2,1-2H3,(H,23,24)