2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]sulfanyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]thio]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SCC(=O)C3=CC4=C(C=C3)OCCO4)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SCC(=O)C3=CC4=C(C=C3)OCCO4)C#N

InChI

InChI=1S/C21H20N2O3S/c1-13-2-4-17-15(8-13)9-16(11-22)21(23-17)27-12-18(24)14-3-5-19-20(10-14)26-7-6-25-19/h3,5,9-10,13H,2,4,6-8,12H2,1H3