2-[[(3R,4S)-3-cyano-7,7-dimethyl-5-oxidanylidene-4-phenyl-3-prop-2-enyl-6,8-dihydro-4H-quinolin-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[(3R,4S)-3-cyano-7,7-dimethyl-5-oxidanylidene-4-phenyl-3-prop-2-enyl-6,8-dihydro-4H-quinolin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[(3R,4S)-3-allyl-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinolin-2-yl]sulfanyl]acetate CAS Name: 2-[[(3R,4S)-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3-prop-2-enyl-6,8-dihydro-4H-quinolin-2-yl]thio]acetate IUPAC Name: 2-[[(3R,4S)-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3-prop-2-enyl-6,8-dihydro-4H-quinolin-2-yl]sulfanyl]acetate Traditional Name: 2-[[(3R,4S)-3-allyl-3-cyano-5-keto-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-quinolin-2-yl]thio]acetate Formula: C23H23N2O3S- MolecularWeight: 407.50532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(C(=N2)SCC(=O)[O-])(CC=C)C#N)C3=CC=CC=C3)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@@H]([C@](C(=N2)SCC(=O)[O-])(CC=C)C#N)C3=CC=CC=C3)C(=O)C1)C

InChI

InChI=1S/C23H24N2O3S/c1-4-10-23(14-24)20(15-8-6-5-7-9-15)19-16(11-22(2,3)12-17(19)26)25-21(23)29-13-18(27)28/h4-9,20H,1,10-13H2,2-3H3,(H,27,28)/p-1/t20-,23-/m0/s1