2-[3-(5-chloranyl-1-thiophen-2-yl-3H-2-benzofuran-1-yl)propyl-methyl-amino]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO3S/c1-20(11-17(21)22)8-3-7-18(16-4-2-9-24-16)15-6-5-14(19)10-13(15)12-23-18/h2,4-6,9-10H,3,7-8,11-12H2,1H3,(H,21,22)