2-(azepan-1-yl)ethyl 2-cyclohexyl-2-oxidanyl-2-thiophen-3-yl-ethanoate

Systemtic Name: 2-(azepan-1-yl)ethyl 2-cyclohexyl-2-oxidanyl-2-thiophen-3-yl-ethanoate Openeye Name: 2-(azepan-1-yl)ethyl 2-cyclohexyl-2-hydroxy-2-(3-thienyl)acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-(3-thiophenyl)acetic acid 2-(1-azepanyl)ethyl ester IUPAC Name: 2-(azepan-1-yl)ethyl 2-cyclohexyl-2-hydroxy-2-thiophen-3-ylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-(3-thienyl)acetic acid 2-(azepan-1-yl)ethyl ester Formula: C20H31NO3S MolecularWeight: 365.53004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOC(=O)C(C2CCCCC2)(C3=CSC=C3)O

Isomeric SMILES

C1CCCN(CC1)CCOC(=O)C(C2CCCCC2)(C3=CSC=C3)O

InChI

InChI=1S/C20H31NO3S/c22-19(24-14-13-21-11-6-1-2-7-12-21)20(23,18-10-15-25-16-18)17-8-4-3-5-9-17/h10,15-17,23H,1-9,11-14H2