2-[[(4S,4aR)-3-cyano-4-(furan-2-yl)-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinolin-2-yl]sulfanyl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[[(4S,4aR)-3-cyano-4-(furan-2-yl)-5-oxidanylidene-4,4a,6,7-tetrahydro-3H-quinolin-2-yl]sulfanyl]-N-tert-butyl-ethanamide Openeye Name: 2-[[(4S,4aR)-3-cyano-4-(2-furyl)-5-oxo-4,4a,6,7-tetrahydro-3H-quinolin-2-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: 2-[[(4S,4aR)-3-cyano-4-(2-furanyl)-5-oxo-4,4a,6,7-tetrahydro-3H-quinolin-2-yl]thio]-N-tert-butylacetamide IUPAC Name: 2-[[(4S,4aR)-3-cyano-4-(furan-2-yl)-5-oxo-4,4a,6,7-tetrahydro-3H-quinolin-2-yl]sulfanyl]-N-tert-butylacetamide Traditional Name: 2-[[(4S,4aR)-3-cyano-4-(2-furyl)-5-keto-4,4a,6,7-tetrahydro-3H-quinolin-2-yl]thio]-N-tert-butyl-acetamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC2=CCCC(=O)C2C(C1C#N)C3=CC=CO3

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC2=CCCC(=O)[C@@H]2[C@@H](C1C#N)C3=CC=CO3

InChI

InChI=1S/C20H23N3O3S/c1-20(2,3)23-16(25)11-27-19-12(10-21)17(15-8-5-9-26-15)18-13(22-19)6-4-7-14(18)24/h5-6,8-9,12,17-18H,4,7,11H2,1-3H3,(H,23,25)/t12?,17-,18+/m0/s1