2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinoline-3-carbonitrile Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-5-keto-7,7-dimethyl-6,8-dihydroquinoline-3-carbonitrile Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C(C(=N2)SCC3=CC4=C(C=C3Cl)OCO4)C#N)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C=C(C(=N2)SCC3=CC4=C(C=C3Cl)OCO4)C#N)C(=O)C1)C

InChI

InChI=1S/C20H17ClN2O3S/c1-20(2)6-15-13(16(24)7-20)3-11(8-22)19(23-15)27-9-12-4-17-18(5-14(12)21)26-10-25-17/h3-5H,6-7,9-10H2,1-2H3