(4R)-4-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile

Systemtic Name: (4R)-4-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Openeye Name: (4R)-4-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile CAS Name: (4R)-4-(1,3-benzodioxol-5-yl)-2-(methylthio)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile IUPAC Name: (4R)-4-(1,3-benzodioxol-5-yl)-2-methylsulfanyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Traditional Name: (4R)-4-(1,3-benzodioxol-5-yl)-5-keto-2-(methylthio)-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(C1C#N)C3=CC4=C(C=C3)OCO4)C(=O)CCC2

Isomeric SMILES

CSC1=NC2=C([C@H](C1C#N)C3=CC4=C(C=C3)OCO4)C(=O)CCC2

InChI

InChI=1S/C18H16N2O3S/c1-24-18-11(8-19)16(17-12(20-18)3-2-4-13(17)21)10-5-6-14-15(7-10)23-9-22-14/h5-7,11,16H,2-4,9H2,1H3/t11?,16-/m0/s1