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

Systemtic Name: N-tert-butyl-2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[3-cyano-5-keto-4-(4-methoxyphenyl)-7,7-dimethyl-1,4,6,8-tetrahydroquinolin-2-yl]thio]acetamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3S/c1-24(2,3)28-20(30)14-32-23-17(13-26)21(15-7-9-16(31-6)10-8-15)22-18(27-23)11-25(4,5)12-19(22)29/h7-10,21,27H,11-12,14H2,1-6H3,(H,28,30)