azetidin-3-yl 3-[2-(1-benzothiophen-5-yl)ethoxy]-2,2-dimethyl-hexanoate

Systemtic Name: azetidin-3-yl 3-[2-(1-benzothiophen-5-yl)ethoxy]-2,2-dimethyl-hexanoate Openeye Name: azetidin-3-yl 3-[2-(benzothiophen-5-yl)ethoxy]-2,2-dimethyl-hexanoate CAS Name: 3-[2-(1-benzothiophen-5-yl)ethoxy]-2,2-dimethylhexanoic acid 3-azetidinyl ester IUPAC Name: azetidin-3-yl 3-[2-(1-benzothiophen-5-yl)ethoxy]-2,2-dimethylhexanoate Traditional Name: 3-[2-(benzothiophen-5-yl)ethoxy]-2,2-dimethyl-hexanoic acid azetidin-3-yl ester Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)(C)C(=O)OC1CNC1)OCCC2=CC3=C(C=C2)SC=C3

Isomeric SMILES

CCCC(C(C)(C)C(=O)OC1CNC1)OCCC2=CC3=C(C=C2)SC=C3

InChI

InChI=1S/C21H29NO3S/c1-4-5-19(21(2,3)20(23)25-17-13-22-14-17)24-10-8-15-6-7-18-16(12-15)9-11-26-18/h6-7,9,11-12,17,19,22H,4-5,8,10,13-14H2,1-3H3