3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide

Systemtic Name: 3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide Openeye Name: 3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide CAS Name: 3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)thio]-N-(4-ethoxyphenyl)propanamide IUPAC Name: 3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide Traditional Name: 3-[(3-cyano-4-ethyl-5-keto-7,7-dimethyl-6,8-dihydroquinolin-2-yl)thio]-N-p-phenetyl-propionamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCCC(=O)NC3=CC=C(C=C3)OCC)C#N

Isomeric SMILES

CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCCC(=O)NC3=CC=C(C=C3)OCC)C#N

InChI

InChI=1S/C25H29N3O3S/c1-5-18-19(15-26)24(28-20-13-25(3,4)14-21(29)23(18)20)32-12-11-22(30)27-16-7-9-17(10-8-16)31-6-2/h7-10H,5-6,11-14H2,1-4H3,(H,27,30)