S-(1,3-benzoxazol-2-yl) (3R)-3-(7-bromanyl-2-methyl-1H-indol-3-yl)butanethioate

Systemtic Name: S-(1,3-benzoxazol-2-yl) (3R)-3-(7-bromanyl-2-methyl-1H-indol-3-yl)butanethioate Openeye Name: S-(1,3-benzoxazol-2-yl) (3R)-3-(7-bromo-2-methyl-1H-indol-3-yl)butanethioate CAS Name: (3R)-3-(7-bromo-2-methyl-1H-indol-3-yl)butanethioic acid S-(1,3-benzoxazol-2-yl) ester IUPAC Name: S-(1,3-benzoxazol-2-yl) (3R)-3-(7-bromo-2-methyl-1H-indol-3-yl)butanethioate Traditional Name: (3R)-3-(7-bromo-2-methyl-1H-indol-3-yl)butanethioic acid S-(1,3-benzoxazol-2-yl) ester Formula: C20H17BrN2O2S MolecularWeight: 429.33018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C(=CC=C2)Br)C(C)CC(=O)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C2=C(N1)C(=CC=C2)Br)[C@H](C)CC(=O)SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H17BrN2O2S/c1-11(18-12(2)22-19-13(18)6-5-7-14(19)21)10-17(24)26-20-23-15-8-3-4-9-16(15)25-20/h3-9,11,22H,10H2,1-2H3/t11-/m1/s1