(2S)-N-ethyl-2-[3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoylamino]propanamide

Systemtic Name: (2S)-N-ethyl-2-[3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoylamino]propanamide Openeye Name: (2S)-N-ethyl-2-[3-[5-methyl-2-(2-thienyl)-1H-indol-3-yl]propanoylamino]propanamide CAS Name: (2S)-N-ethyl-2-[[3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)-1-oxopropyl]amino]propanamide IUPAC Name: (2S)-N-ethyl-2-[3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoylamino]propanamide Traditional Name: (2S)-N-ethyl-2-[3-[5-methyl-2-(2-thienyl)-1H-indol-3-yl]propanoylamino]propionamide Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)CCC1=C(NC2=C1C=C(C=C2)C)C3=CC=CS3

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)CCC1=C(NC2=C1C=C(C=C2)C)C3=CC=CS3

InChI

InChI=1S/C21H25N3O2S/c1-4-22-21(26)14(3)23-19(25)10-8-15-16-12-13(2)7-9-17(16)24-20(15)18-6-5-11-27-18/h5-7,9,11-12,14,24H,4,8,10H2,1-3H3,(H,22,26)(H,23,25)/t14-/m0/s1