N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(4,6,8-trimethyl-2-oxidanylidene-quinolin-1-yl)butanamide

Systemtic Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(4,6,8-trimethyl-2-oxidanylidene-quinolin-1-yl)butanamide Openeye Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-2-(4,6,8-trimethyl-2-oxo-1-quinolyl)butanamide CAS Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thiophenyl]-2-(4,6,8-trimethyl-2-oxo-1-quinolinyl)butanamide IUPAC Name: N-[3-cyano-4-(4-methoxyphenyl)thiophen-2-yl]-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanamide Traditional Name: N-[3-cyano-4-(4-methoxyphenyl)-2-thienyl]-2-(2-keto-4,6,8-trimethyl-1-quinolyl)butyramide Formula: C28H27N3O3S MolecularWeight: 485.59728

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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=CC(=CC(=C43)C)C)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OC)C#N)N3C(=O)C=C(C4=CC(=CC(=C43)C)C)C

InChI

InChI=1S/C28H27N3O3S/c1-6-24(31-25(32)13-17(3)21-12-16(2)11-18(4)26(21)31)27(33)30-28-22(14-29)23(15-35-28)19-7-9-20(34-5)10-8-19/h7-13,15,24H,6H2,1-5H3,(H,30,33)