2-(azepan-1-yl)ethyl 2-phenyl-2-thiophen-3-yl-ethanoate

Systemtic Name: 2-(azepan-1-yl)ethyl 2-phenyl-2-thiophen-3-yl-ethanoate Openeye Name: 2-(azepan-1-yl)ethyl 2-phenyl-2-(3-thienyl)acetate CAS Name: 2-phenyl-2-(3-thiophenyl)acetic acid 2-(1-azepanyl)ethyl ester IUPAC Name: 2-(azepan-1-yl)ethyl 2-phenyl-2-thiophen-3-ylacetate Traditional Name: 2-phenyl-2-(3-thienyl)acetic acid 2-(azepan-1-yl)ethyl ester Formula: C20H25NO2S MolecularWeight: 343.483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOC(=O)C(C2=CC=CC=C2)C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)CCOC(=O)C(C2=CC=CC=C2)C3=CSC=C3

InChI

InChI=1S/C20H25NO2S/c22-20(23-14-13-21-11-6-1-2-7-12-21)19(18-10-15-24-16-18)17-8-4-3-5-9-17/h3-5,8-10,15-16,19H,1-2,6-7,11-14H2