(4R)-4-(furan-2-yl)-5-oxidanylidene-2-phenacylsulfanyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile

Systemtic Name: (4R)-4-(furan-2-yl)-5-oxidanylidene-2-phenacylsulfanyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Openeye Name: (4R)-4-(2-furyl)-5-oxo-2-phenacylsulfanyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile CAS Name: (4R)-4-(2-furanyl)-5-oxo-2-(phenacylthio)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile IUPAC Name: (4R)-4-(furan-2-yl)-5-oxo-2-phenacylsulfanyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Traditional Name: (4R)-4-(2-furyl)-5-keto-2-(phenacylthio)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC(=C(C(C2C(=O)C1)C3=CC=CO3)C#N)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC2=NC(=C([C@@H](C2C(=O)C1)C3=CC=CO3)C#N)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O3S/c23-12-15-20(19-10-5-11-27-19)21-16(8-4-9-17(21)25)24-22(15)28-13-18(26)14-6-2-1-3-7-14/h1-3,5-7,10-11,20-21H,4,8-9,13H2/t20-,21?/m1/s1