2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetamide CAS Name: 2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]thio]acetamide IUPAC Name: 2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetamide Traditional Name: 2-[[3-cyano-5-keto-4-(4-methoxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinolin-2-yl]thio]acetamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2)SCC(=O)N)C#N)C3=CC=C(C=C3)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2)SCC(=O)N)C#N)C3=CC=C(C=C3)OC)C(=O)C1)C

InChI

InChI=1S/C21H23N3O3S/c1-21(2)8-15-19(16(25)9-21)18(12-4-6-13(27-3)7-5-12)14(10-22)20(24-15)28-11-17(23)26/h4-7,18,24H,8-9,11H2,1-3H3,(H2,23,26)