methyl 3-(octan-2-ylamino)-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-(octan-2-ylamino)-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-(1-methylheptylamino)-3-(2-thienyl)propanoate CAS Name: 3-(octan-2-ylamino)-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-(octan-2-ylamino)-3-thiophen-2-ylpropanoate Traditional Name: 3-(1-methylheptylamino)-3-(2-thienyl)propionic acid methyl ester Formula: C16H27NO2S MolecularWeight: 297.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(CC(=O)OC)C1=CC=CS1

Isomeric SMILES

CCCCCCC(C)NC(CC(=O)OC)C1=CC=CS1

InChI

InChI=1S/C16H27NO2S/c1-4-5-6-7-9-13(2)17-14(12-16(18)19-3)15-10-8-11-20-15/h8,10-11,13-14,17H,4-7,9,12H2,1-3H3