S-(1,3-benzothiazol-2-yl) 4-(5-chloranyl-2-quinolin-2-yl-1H-indol-3-yl)butanethioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) 4-(5-chloranyl-2-quinolin-2-yl-1H-indol-3-yl)butanethioate Openeye Name: S-(1,3-benzothiazol-2-yl) 4-[5-chloro-2-(2-quinolyl)-1H-indol-3-yl]butanethioate CAS Name: 4-[5-chloro-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-(5-chloro-2-quinolin-2-yl-1H-indol-3-yl)butanethioate Traditional Name: 4-[5-chloro-2-(2-quinolyl)-1H-indol-3-yl]butanethioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C28H20ClN3OS2 MolecularWeight: 514.0609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C3=C(C4=C(N3)C=CC(=C4)Cl)CCCC(=O)SC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C3=C(C4=C(N3)C=CC(=C4)Cl)CCCC(=O)SC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C28H20ClN3OS2/c29-18-13-15-22-20(16-18)19(27(31-22)24-14-12-17-6-1-2-8-21(17)30-24)7-5-11-26(33)35-28-32-23-9-3-4-10-25(23)34-28/h1-4,6,8-10,12-16,31H,5,7,11H2