[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [(1R)-2-indolin-1-yl-1-methyl-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [(1R)-2-indolin-1-yl-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)OC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C21)OC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N2O3S/c1-15(22(26)24-14-13-16-7-2-4-9-18(16)24)27-21(25)12-6-11-20-23-17-8-3-5-10-19(17)28-20/h2-5,7-10,15H,6,11-14H2,1H3/t15-/m1/s1