(4R,4aR)-4-(1,3-benzodioxol-5-yl)-2-ethylsulfanyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile

Systemtic Name: (4R,4aR)-4-(1,3-benzodioxol-5-yl)-2-ethylsulfanyl-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile Openeye Name: (4R,4aR)-4-(1,3-benzodioxol-5-yl)-2-ethylsulfanyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile CAS Name: (4R,4aR)-4-(1,3-benzodioxol-5-yl)-2-(ethylthio)-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile IUPAC Name: (4R,4aR)-4-(1,3-benzodioxol-5-yl)-2-ethylsulfanyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile Traditional Name: (4R,4aR)-4-(1,3-benzodioxol-5-yl)-2-(ethylthio)-5-keto-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile Formula: C19H18N2O3S MolecularWeight: 354.42282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=CCCC(=O)C2C(C1C#N)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCSC1=NC2=CCCC(=O)[C@@H]2[C@H](C1C#N)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18N2O3S/c1-2-25-19-12(9-20)17(18-13(21-19)4-3-5-14(18)22)11-6-7-15-16(8-11)24-10-23-15/h4,6-8,12,17-18H,2-3,5,10H2,1H3/t12?,17-,18+/m0/s1