2-[1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]-3-oxidanyl-azetidin-2-yl]butanedioic acid

Systemtic Name: 2-[1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]-3-oxidanyl-azetidin-2-yl]butanedioic acid Openeye Name: 2-[1-[3-[2-(benzothiophen-5-yl)ethoxy]propyl]-3-hydroxy-azetidin-2-yl]butanedioic acid CAS Name: 2-[1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]-3-hydroxy-2-azetidinyl]butanedioic acid IUPAC Name: 2-[1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]-3-hydroxyazetidin-2-yl]butanedioic acid Traditional Name: 2-[1-[3-[2-(benzothiophen-5-yl)ethoxy]propyl]-3-hydroxy-azetidin-2-yl]succinic acid Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(N1CCCOCCC2=CC3=C(C=C2)SC=C3)C(CC(=O)O)C(=O)O)O

Isomeric SMILES

C1C(C(N1CCCOCCC2=CC3=C(C=C2)SC=C3)C(CC(=O)O)C(=O)O)O

InChI

InChI=1S/C20H25NO6S/c22-16-12-21(19(16)15(20(25)26)11-18(23)24)6-1-7-27-8-4-13-2-3-17-14(10-13)5-9-28-17/h2-3,5,9-10,15-16,19,22H,1,4,6-8,11-12H2,(H,23,24)(H,25,26)