3-(1-benzothiophen-3-yl)-2-(decanoylamino)propanoic acid

Systemtic Name: 3-(1-benzothiophen-3-yl)-2-(decanoylamino)propanoic acid Openeye Name: 3-(benzothiophen-3-yl)-2-(decanoylamino)propanoic acid CAS Name: 3-(1-benzothiophen-3-yl)-2-(1-oxodecylamino)propanoic acid IUPAC Name: 3-(1-benzothiophen-3-yl)-2-(decanoylamino)propanoic acid Traditional Name: 3-(benzothiophen-3-yl)-2-(caprylamino)propionic acid Formula: C21H29NO3S MolecularWeight: 375.52486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(CC1=CSC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCCCCCCC(=O)NC(CC1=CSC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C21H29NO3S/c1-2-3-4-5-6-7-8-13-20(23)22-18(21(24)25)14-16-15-26-19-12-10-9-11-17(16)19/h9-12,15,18H,2-8,13-14H2,1H3,(H,22,23)(H,24,25)