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

Systemtic Name: 2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinolin-2-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[3-cyano-5-keto-4-(4-methoxyphenyl)-7,7-dimethyl-6,8-dihydroquinolin-2-yl]thio]-N-phenethyl-acetamide Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SCC(=O)NCCC3=CC=CC=C3)C#N)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SCC(=O)NCCC3=CC=CC=C3)C#N)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C29H29N3O3S/c1-29(2)15-23-27(24(33)16-29)26(20-9-11-21(35-3)12-10-20)22(17-30)28(32-23)36-18-25(34)31-14-13-19-7-5-4-6-8-19/h4-12H,13-16,18H2,1-3H3,(H,31,34)