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

Systemtic Name: S-(1,3-benzothiazol-2-yl) 4-(5-chloranyl-2-pyridin-2-yl-1H-indol-3-yl)butanethioate Openeye Name: S-(1,3-benzothiazol-2-yl) 4-[5-chloro-2-(2-pyridyl)-1H-indol-3-yl]butanethioate CAS Name: 4-[5-chloro-2-(2-pyridinyl)-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-pyridin-2-yl-1H-indol-3-yl)butanethioate Traditional Name: 4-[5-chloro-2-(2-pyridyl)-1H-indol-3-yl]butanethioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C24H18ClN3OS2 MolecularWeight: 464.00222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(=O)CCCC3=C(NC4=C3C=C(C=C4)Cl)C5=CC=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC(=O)CCCC3=C(NC4=C3C=C(C=C4)Cl)C5=CC=CC=N5

InChI

InChI=1S/C24H18ClN3OS2/c25-15-11-12-18-17(14-15)16(23(27-18)20-8-3-4-13-26-20)6-5-10-22(29)31-24-28-19-7-1-2-9-21(19)30-24/h1-4,7-9,11-14,27H,5-6,10H2