ethyl 2-(8-azanyl-1-pyridin-3-yl-octan-4-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(8-azanyl-1-pyridin-3-yl-octan-4-yl)sulfanylethanoate Openeye Name: ethyl 2-[5-amino-1-[3-(3-pyridyl)propyl]pentyl]sulfanylacetate CAS Name: 2-[[8-amino-1-(3-pyridinyl)octan-4-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(8-amino-1-pyridin-3-yloctan-4-yl)sulfanylacetate Traditional Name: 2-[[5-amino-1-[3-(3-pyridyl)propyl]pentyl]thio]acetic acid ethyl ester Formula: C17H28N2O2S MolecularWeight: 324.48142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(CCCCN)CCCC1=CN=CC=C1

Isomeric SMILES

CCOC(=O)CSC(CCCCN)CCCC1=CN=CC=C1

InChI

InChI=1S/C17H28N2O2S/c1-2-21-17(20)14-22-16(9-3-4-11-18)10-5-7-15-8-6-12-19-13-15/h6,8,12-13,16H,2-5,7,9-11,14,18H2,1H3