[(7-cyano-7-quinolin-2-yl-7-thiophen-2-yl-heptanoyl)amino] propanoate

Systemtic Name: [(7-cyano-7-quinolin-2-yl-7-thiophen-2-yl-heptanoyl)amino] propanoate Openeye Name: [[7-cyano-7-(2-quinolyl)-7-(2-thienyl)heptanoyl]amino] propanoate CAS Name: propanoic acid [[7-cyano-1-oxo-7-(2-quinolinyl)-7-thiophen-2-ylheptyl]amino] ester IUPAC Name: [(7-cyano-7-quinolin-2-yl-7-thiophen-2-ylheptanoyl)amino] propanoate Traditional Name: propionic acid [[7-cyano-7-(2-quinolyl)-7-(2-thienyl)heptanoyl]amino] ester Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)ONC(=O)CCCCCC(C#N)(C1=NC2=CC=CC=C2C=C1)C3=CC=CS3

Isomeric SMILES

CCC(=O)ONC(=O)CCCCCC(C#N)(C1=NC2=CC=CC=C2C=C1)C3=CC=CS3

InChI

InChI=1S/C24H25N3O3S/c1-2-23(29)30-27-22(28)12-4-3-7-15-24(17-25,21-11-8-16-31-21)20-14-13-18-9-5-6-10-19(18)26-20/h5-6,8-11,13-14,16H,2-4,7,12,15H2,1H3,(H,27,28)