1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde Openeye Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde CAS Name: 1-[2-(1,3-benzothiazol-2-ylthio)ethyl]-2,2,4-trimethyl-3,4-dihydroquinoline-6-carboxaldehyde IUPAC Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde Traditional Name: 1-[2-(1,3-benzothiazol-2-ylthio)ethyl]-2,2,4-trimethyl-3,4-dihydroquinoline-6-carbaldehyde Formula: C22H24N2OS2 MolecularWeight: 396.56876

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(C2=C1C=C(C=C2)C=O)CCSC3=NC4=CC=CC=C4S3)(C)C

Isomeric SMILES

CC1CC(N(C2=C1C=C(C=C2)C=O)CCSC3=NC4=CC=CC=C4S3)(C)C

InChI

InChI=1S/C22H24N2OS2/c1-15-13-22(2,3)24(19-9-8-16(14-25)12-17(15)19)10-11-26-21-23-18-6-4-5-7-20(18)27-21/h4-9,12,14-15H,10-11,13H2,1-3H3