2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-7,7-dimethyl-5-oxidanylidene-4-thiophen-2-yl-1,4,4a,6-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-7,7-dimethyl-5-oxidanylidene-4-thiophen-2-yl-1,4,4a,6-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-7,7-dimethyl-5-oxo-4-(2-thienyl)-1,4,4a,6-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-7,7-dimethyl-5-oxo-4-thiophen-2-yl-1,4,4a,6-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-7,7-dimethyl-5-oxo-4-thiophen-2-yl-1,4,4a,6-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-5-keto-7,7-dimethyl-4-(2-thienyl)-1,4,4a,6-tetrahydroquinoline-3-carbonitrile Formula: C24H21ClN2O3S2 MolecularWeight: 485.01814

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2C(C(=C(NC2=C1)SCC3=CC4=C(C=C3Cl)OCO4)C#N)C5=CC=CS5)C

Isomeric SMILES

CC1(CC(=O)C2C(C(=C(NC2=C1)SCC3=CC4=C(C=C3Cl)OCO4)C#N)C5=CC=CS5)C

InChI

InChI=1S/C24H21ClN2O3S2/c1-24(2)8-16-22(17(28)9-24)21(20-4-3-5-31-20)14(10-26)23(27-16)32-11-13-6-18-19(7-15(13)25)30-12-29-18/h3-8,21-22,27H,9,11-12H2,1-2H3