3-heptyl-2-[(E)-2-(2-pyrrolidin-1-ylphenyl)ethenyl]-2H-1,3-benzothiazole

Systemtic Name: 3-heptyl-2-[(E)-2-(2-pyrrolidin-1-ylphenyl)ethenyl]-2H-1,3-benzothiazole Openeye Name: 3-heptyl-2-[(E)-2-(2-pyrrolidin-1-ylphenyl)vinyl]-2H-1,3-benzothiazole CAS Name: 3-heptyl-2-[(E)-2-[2-(1-pyrrolidinyl)phenyl]ethenyl]-2H-1,3-benzothiazole IUPAC Name: 3-heptyl-2-[(E)-2-(2-pyrrolidin-1-ylphenyl)ethenyl]-2H-1,3-benzothiazole Traditional Name: 3-heptyl-2-[(E)-2-(2-pyrrolidinophenyl)vinyl]-2H-1,3-benzothiazole Formula: C26H34N2S MolecularWeight: 406.62656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(SC2=CC=CC=C21)C=CC3=CC=CC=C3N4CCCC4

Isomeric SMILES

CCCCCCCN1C(SC2=CC=CC=C21)/C=C/C3=CC=CC=C3N4CCCC4

InChI

InChI=1S/C26H34N2S/c1-2-3-4-5-10-21-28-24-15-8-9-16-25(24)29-26(28)18-17-22-13-6-7-14-23(22)27-19-11-12-20-27/h6-9,13-18,26H,2-5,10-12,19-21H2,1H3/b18-17+