[1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]azetidin-3-yl] ethanoate; ethanedioic acid

Systemtic Name: [1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]azetidin-3-yl] ethanoate; ethanedioic acid Openeye Name: [1-[3-[2-(benzothiophen-5-yl)ethoxy]propyl]azetidin-3-yl] acetate; oxalic acid CAS Name: acetic acid [1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]-3-azetidinyl] ester; oxalic acid IUPAC Name: [1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]azetidin-3-yl] acetate; oxalic acid Traditional Name: acetic acid [1-[3-[2-(benzothiophen-5-yl)ethoxy]propyl]azetidin-3-yl] ester; oxalic acid Formula: C20H25NO7S MolecularWeight: 423.48

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CN(C1)CCCOCCC2=CC3=C(C=C2)SC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)OC1CN(C1)CCCOCCC2=CC3=C(C=C2)SC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23NO3S.C2H2O4/c1-14(20)22-17-12-19(13-17)7-2-8-21-9-5-15-3-4-18-16(11-15)6-10-23-18;3-1(4)2(5)6/h3-4,6,10-11,17H,2,5,7-9,12-13H2,1H3;(H,3,4)(H,5,6)