N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(4,8-dimethyl-2-oxidanylidene-quinolin-1-yl)butanamide

Systemtic Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(4,8-dimethyl-2-oxidanylidene-quinolin-1-yl)butanamide Openeye Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-2-(4,8-dimethyl-2-oxo-1-quinolyl)butanamide CAS Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thiophenyl]-2-(4,8-dimethyl-2-oxo-1-quinolinyl)butanamide IUPAC Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide Traditional Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-2-(2-keto-4,8-dimethyl-1-quinolyl)butyramide Formula: C27H25N3O3S MolecularWeight: 471.5707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C#N)N3C(=O)C=C(C4=C3C(=CC=C4)C)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C#N)N3C(=O)C=C(C4=C3C(=CC=C4)C)C

InChI

InChI=1S/C27H25N3O3S/c1-5-23(30-24(31)13-17(3)20-8-6-7-16(2)25(20)30)26(32)29-27-21(14-28)22(15-34-27)18-9-11-19(33-4)12-10-18/h6-13,15,23H,5H2,1-4H3,(H,29,32)