S-(1,3-benzothiazol-2-yl) 4-(2-quinolin-2-yl-1H-indol-3-yl)butanethioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) 4-(2-quinolin-2-yl-1H-indol-3-yl)butanethioate Openeye Name: S-(1,3-benzothiazol-2-yl) 4-[2-(2-quinolyl)-1H-indol-3-yl]butanethioate CAS Name: 4-[2-(2-quinolinyl)-1H-indol-3-yl]butanethioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 4-(2-quinolin-2-yl-1H-indol-3-yl)butanethioate Traditional Name: 4-[2-(2-quinolyl)-1H-indol-3-yl]butanethioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C28H21N3OS2 MolecularWeight: 479.61584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C3=C(C4=CC=CC=C4N3)CCCC(=O)SC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C3=C(C4=CC=CC=C4N3)CCCC(=O)SC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C28H21N3OS2/c32-26(34-28-31-23-13-5-6-14-25(23)33-28)15-7-10-20-19-9-2-4-12-22(19)30-27(20)24-17-16-18-8-1-3-11-21(18)29-24/h1-6,8-9,11-14,16-17,30H,7,10,15H2