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

Systemtic Name: S-(1,3-benzothiazol-2-yl) 4-(2-pyridin-2-yl-1H-indol-3-yl)butanethioate Openeye Name: S-(1,3-benzothiazol-2-yl) 4-[2-(2-pyridyl)-1H-indol-3-yl]butanethioate CAS Name: 4-[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-(2-pyridin-2-yl-1H-indol-3-yl)butanethioate Traditional Name: 4-[2-(2-pyridyl)-1H-indol-3-yl]butanethioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C24H19N3OS2 MolecularWeight: 429.55716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C3=CC=CC=N3)CCCC(=O)SC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)C3=CC=CC=N3)CCCC(=O)SC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H19N3OS2/c28-22(30-24-27-19-11-3-4-13-21(19)29-24)14-7-9-17-16-8-1-2-10-18(16)26-23(17)20-12-5-6-15-25-20/h1-6,8,10-13,15,26H,7,9,14H2