[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoic acid [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propionic acid [(1S)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C21H19N3O4S MolecularWeight: 409.45826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)CCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)OC(=O)CCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C21H19N3O4S/c1-12-19(14-6-3-4-7-15(14)22-12)20(26)13(2)27-18(25)10-9-17-23-21(24-28-17)16-8-5-11-29-16/h3-8,11,13,22H,9-10H2,1-2H3/t13-/m0/s1