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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=C(S1)CN2CCCCCC2)O

Isomeric SMILES

CCOC(=O)CC(C1=CC=C(S1)CN2CCCCCC2)O

InChI

InChI=1S/C16H25NO3S/c1-2-20-16(19)11-14(18)15-8-7-13(21-15)12-17-9-5-3-4-6-10-17/h7-8,14,18H,2-6,9-12H2,1H3