heptyl (2S)-2-(2-thiophen-2-ylethanoylamino)propanoate

Systemtic Name: heptyl (2S)-2-(2-thiophen-2-ylethanoylamino)propanoate Openeye Name: heptyl (2S)-2-[[2-(2-thienyl)acetyl]amino]propanoate CAS Name: (2S)-2-[(1-oxo-2-thiophen-2-ylethyl)amino]propanoic acid heptyl ester IUPAC Name: heptyl (2S)-2-[(2-thiophen-2-ylacetyl)amino]propanoate Traditional Name: (2S)-2-[[2-(2-thienyl)acetyl]amino]propionic acid heptyl ester Formula: C16H25NO3S MolecularWeight: 311.4396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C(C)NC(=O)CC1=CC=CS1

Isomeric SMILES

CCCCCCCOC(=O)[C@H](C)NC(=O)CC1=CC=CS1

InChI

InChI=1S/C16H25NO3S/c1-3-4-5-6-7-10-20-16(19)13(2)17-15(18)12-14-9-8-11-21-14/h8-9,11,13H,3-7,10,12H2,1-2H3,(H,17,18)/t13-/m0/s1