(4R)-4-(4-butoxyphenyl)-3-cyano-7,7-dimethyl-2-sulfanyl-6,8-dihydro-4H-quinolin-5-olate

Systemtic Name: (4R)-4-(4-butoxyphenyl)-3-cyano-7,7-dimethyl-2-sulfanyl-6,8-dihydro-4H-quinolin-5-olate Openeye Name: (4R)-4-(4-butoxyphenyl)-3-cyano-7,7-dimethyl-2-sulfanyl-6,8-dihydro-4H-quinolin-5-olate CAS Name: (4R)-4-(4-butoxyphenyl)-3-cyano-2-mercapto-7,7-dimethyl-6,8-dihydro-4H-quinolin-5-olate IUPAC Name: (4R)-4-(4-butoxyphenyl)-3-cyano-7,7-dimethyl-2-sulfanyl-6,8-dihydro-4H-quinolin-5-olate Traditional Name: (4R)-4-(4-butoxyphenyl)-3-cyano-2-mercapto-7,7-dimethyl-6,8-dihydro-4H-quinolin-5-olate Formula: C22H25N2O2S- MolecularWeight: 381.5111

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(=C(N=C3C2=C(CC(C3)(C)C)[O-])S)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@H]2C(=C(N=C3C2=C(CC(C3)(C)C)[O-])S)C#N

InChI

InChI=1S/C22H26N2O2S/c1-4-5-10-26-15-8-6-14(7-9-15)19-16(13-23)21(27)24-17-11-22(2,3)12-18(25)20(17)19/h6-9,19,25,27H,4-5,10-12H2,1-3H3/p-1/t19-/m0/s1