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

Systemtic Name: S-(1,3-benzothiazol-2-yl) 4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanethioate Openeye Name: S-(1,3-benzothiazol-2-yl) 4-[5-methyl-2-(2-pyridyl)-1H-indol-3-yl]butanethioate CAS Name: 4-[5-methyl-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-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanethioate Traditional Name: 4-[5-methyl-2-(2-pyridyl)-1H-indol-3-yl]butanethioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C25H21N3OS2 MolecularWeight: 443.58374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)SC3=NC4=CC=CC=C4S3)C5=CC=CC=N5

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)SC3=NC4=CC=CC=C4S3)C5=CC=CC=N5

InChI

InChI=1S/C25H21N3OS2/c1-16-12-13-19-18(15-16)17(24(27-19)21-9-4-5-14-26-21)7-6-11-23(29)31-25-28-20-8-2-3-10-22(20)30-25/h2-5,8-10,12-15,27H,6-7,11H2,1H3