S-(1,3-benzoxazol-2-yl) (3R)-3-(2-phenyl-1H-indol-3-yl)butanethioate

Systemtic Name: S-(1,3-benzoxazol-2-yl) (3R)-3-(2-phenyl-1H-indol-3-yl)butanethioate Openeye Name: S-(1,3-benzoxazol-2-yl) (3R)-3-(2-phenyl-1H-indol-3-yl)butanethioate CAS Name: (3R)-3-(2-phenyl-1H-indol-3-yl)butanethioic acid S-(1,3-benzoxazol-2-yl) ester IUPAC Name: S-(1,3-benzoxazol-2-yl) (3R)-3-(2-phenyl-1H-indol-3-yl)butanethioate Traditional Name: (3R)-3-(2-phenyl-1H-indol-3-yl)butanethioic acid S-(1,3-benzoxazol-2-yl) ester Formula: C25H20N2O2S MolecularWeight: 412.5035

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)SC1=NC2=CC=CC=C2O1)C3=C(NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C[C@H](CC(=O)SC1=NC2=CC=CC=C2O1)C3=C(NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H20N2O2S/c1-16(15-22(28)30-25-27-20-13-7-8-14-21(20)29-25)23-18-11-5-6-12-19(18)26-24(23)17-9-3-2-4-10-17/h2-14,16,26H,15H2,1H3/t16-/m1/s1