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

Systemtic Name: 2-[[3-cyano-7,7-dimethyl-4-(3-nitrophenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamide Openeye Name: 2-[[3-cyano-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide CAS Name: 2-[[3-cyano-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]thio]-N-[2-(4-methoxyphenyl)ethyl]acetamide IUPAC Name: 2-[[3-cyano-7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide Traditional Name: 2-[[3-cyano-5-keto-7,7-dimethyl-4-(3-nitrophenyl)-1,4,6,8-tetrahydroquinolin-2-yl]thio]-N-[2-(4-methoxyphenyl)ethyl]acetamide Formula: C29H30N4O5S MolecularWeight: 546.6373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O5S/c1-29(2)14-23-27(24(34)15-29)26(19-5-4-6-20(13-19)33(36)37)22(16-30)28(32-23)39-17-25(35)31-12-11-18-7-9-21(38-3)10-8-18/h4-10,13,26,32H,11-12,14-15,17H2,1-3H3,(H,31,35)