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

Systemtic Name: 2-[(5-chloranyl-1-thiophen-2-yl-3H-2-benzofuran-1-yl)methyl]-2-(methylamino)pentanoic acid Openeye Name: 2-[[5-chloro-1-(2-thienyl)-3H-isobenzofuran-1-yl]methyl]-2-(methylamino)pentanoic acid CAS Name: 2-[(5-chloro-1-thiophen-2-yl-3H-isobenzofuran-1-yl)methyl]-2-(methylamino)pentanoic acid IUPAC Name: 2-[(5-chloro-1-thiophen-2-yl-3H-2-benzofuran-1-yl)methyl]-2-(methylamino)pentanoic acid Traditional Name: 2-[[5-chloro-1-(2-thienyl)phthalan-1-yl]methyl]-2-(methylamino)valeric acid Formula: C19H22ClNO3S MolecularWeight: 379.90088

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1(C2=C(CO1)C=C(C=C2)Cl)C3=CC=CS3)(C(=O)O)NC

Isomeric SMILES

CCCC(CC1(C2=C(CO1)C=C(C=C2)Cl)C3=CC=CS3)(C(=O)O)NC

InChI

InChI=1S/C19H22ClNO3S/c1-3-8-18(21-2,17(22)23)12-19(16-5-4-9-25-16)15-7-6-14(20)10-13(15)11-24-19/h4-7,9-10,21H,3,8,11-12H2,1-2H3,(H,22,23)