methyl 3-(octylamino)-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-(octylamino)-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-(octylamino)-3-(2-thienyl)propanoate CAS Name: 3-(octylamino)-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-(octylamino)-3-thiophen-2-ylpropanoate Traditional Name: 3-(octylamino)-3-(2-thienyl)propionic acid methyl ester Formula: C16H27NO2S MolecularWeight: 297.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(CC(=O)OC)C1=CC=CS1

Isomeric SMILES

CCCCCCCCNC(CC(=O)OC)C1=CC=CS1

InChI

InChI=1S/C16H27NO2S/c1-3-4-5-6-7-8-11-17-14(13-16(18)19-2)15-10-9-12-20-15/h9-10,12,14,17H,3-8,11,13H2,1-2H3