S-(1,3-benzoxazol-2-yl) (3R)-3-(5-phenylmethoxy-1H-indol-3-yl)butanethioate

Systemtic Name: S-(1,3-benzoxazol-2-yl) (3R)-3-(5-phenylmethoxy-1H-indol-3-yl)butanethioate Openeye Name: S-(1,3-benzoxazol-2-yl) (3R)-3-(5-benzyloxy-1H-indol-3-yl)butanethioate CAS Name: (3R)-3-(5-phenylmethoxy-1H-indol-3-yl)butanethioic acid S-(1,3-benzoxazol-2-yl) ester IUPAC Name: S-(1,3-benzoxazol-2-yl) (3R)-3-(5-phenylmethoxy-1H-indol-3-yl)butanethioate Traditional Name: (3R)-3-(5-benzoxy-1H-indol-3-yl)butanethioic acid S-(1,3-benzoxazol-2-yl) ester Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)SC1=NC2=CC=CC=C2O1)C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C[C@H](CC(=O)SC1=NC2=CC=CC=C2O1)C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C26H22N2O3S/c1-17(13-25(29)32-26-28-23-9-5-6-10-24(23)31-26)21-15-27-22-12-11-19(14-20(21)22)30-16-18-7-3-2-4-8-18/h2-12,14-15,17,27H,13,16H2,1H3/t17-/m1/s1