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

Systemtic Name: 5-(5-chloranyl-1-thiophen-2-yl-3H-2-benzofuran-1-yl)-2-(methylamino)pentanoic acid Openeye Name: 5-[5-chloro-1-(2-thienyl)-3H-isobenzofuran-1-yl]-2-(methylamino)pentanoic acid CAS Name: 5-(5-chloro-1-thiophen-2-yl-3H-isobenzofuran-1-yl)-2-(methylamino)pentanoic acid IUPAC Name: 5-(5-chloro-1-thiophen-2-yl-3H-2-benzofuran-1-yl)-2-(methylamino)pentanoic acid Traditional Name: 5-[5-chloro-1-(2-thienyl)phthalan-1-yl]-2-(methylamino)valeric acid Formula: C18H20ClNO3S MolecularWeight: 365.8743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO3S/c1-20-15(17(21)22)4-2-8-18(16-5-3-9-24-16)14-7-6-13(19)10-12(14)11-23-18/h3,5-7,9-10,15,20H,2,4,8,11H2,1H3,(H,21,22)