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

Systemtic Name: 2-[(3-cyano-7,7-dimethyl-5-oxidanylidene-4-phenyl-3-prop-2-enyl-6,8-dihydro-4H-quinolin-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(3-allyl-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinolin-2-yl)sulfanyl]acetic acid CAS Name: 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3-prop-2-enyl-6,8-dihydro-4H-quinolin-2-yl)thio]acetic acid IUPAC Name: 2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-3-prop-2-enyl-6,8-dihydro-4H-quinolin-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(3-allyl-3-cyano-5-keto-7,7-dimethyl-4-phenyl-6,8-dihydro-4H-quinolin-2-yl)thio]acetic acid Formula: C23H24N2O3S MolecularWeight: 408.51326

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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(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)