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

Systemtic Name: 4-(4-butoxyphenyl)-3-cyano-7,7-dimethyl-2-sulfanyl-6,8-dihydro-4H-quinolin-5-olate; morpholin-4-ium Openeye Name: 4-(4-butoxyphenyl)-3-cyano-7,7-dimethyl-2-sulfanyl-6,8-dihydro-4H-quinolin-5-olate; morpholin-4-ium CAS Name: 4-(4-butoxyphenyl)-3-cyano-2-mercapto-7,7-dimethyl-6,8-dihydro-4H-quinolin-5-olate; morpholin-4-ium IUPAC Name: 4-(4-butoxyphenyl)-3-cyano-7,7-dimethyl-2-sulfanyl-6,8-dihydro-4H-quinolin-5-olate; morpholin-4-ium Traditional Name: 4-(4-butoxyphenyl)-3-cyano-2-mercapto-7,7-dimethyl-6,8-dihydro-4H-quinolin-5-olate; morpholin-4-ium Formula: C26H35N3O3S MolecularWeight: 469.6394

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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.C1COCC[NH2+]1

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C(=C(N=C3C2=C(CC(C3)(C)C)[O-])S)C#N.C1COCC[NH2+]1

InChI

InChI=1S/C22H26N2O2S.C4H9NO/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;1-3-6-4-2-5-1/h6-9,19,25,27H,4-5,10-12H2,1-3H3;5H,1-4H2