2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=N2)SCC3COC4=CC=CC=C4O3)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=N2)SCC3COC4=CC=CC=C4O3)C#N

InChI

InChI=1S/C19H18N2O2S/c20-10-14-9-13-5-1-2-6-16(13)21-19(14)24-12-15-11-22-17-7-3-4-8-18(17)23-15/h3-4,7-9,15H,1-2,5-6,11-12H2