ethyl 3-[5-(azepan-1-ylmethyl)-3-oxidanyl-thiophen-2-yl]propanoate

Systemtic Name: ethyl 3-[5-(azepan-1-ylmethyl)-3-oxidanyl-thiophen-2-yl]propanoate Openeye Name: ethyl 3-[5-(azepan-1-ylmethyl)-3-hydroxy-2-thienyl]propanoate CAS Name: 3-[5-(1-azepanylmethyl)-3-hydroxy-2-thiophenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-(azepan-1-ylmethyl)-3-hydroxythiophen-2-yl]propanoate Traditional Name: 3-[5-(azepan-1-ylmethyl)-3-hydroxy-2-thienyl]propionic acid ethyl ester Formula: C16H25NO3S MolecularWeight: 311.4396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C=C(S1)CN2CCCCCC2)O

Isomeric SMILES

CCOC(=O)CCC1=C(C=C(S1)CN2CCCCCC2)O

InChI

InChI=1S/C16H25NO3S/c1-2-20-16(19)8-7-15-14(18)11-13(21-15)12-17-9-5-3-4-6-10-17/h11,18H,2-10,12H2,1H3