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

Systemtic Name: [(7-cyano-7-quinolin-2-yl-7-thiophen-2-yl-heptanoyl)amino] benzoate Openeye Name: [[7-cyano-7-(2-quinolyl)-7-(2-thienyl)heptanoyl]amino] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [[7-cyano-7-(2-quinolyl)-7-(2-thienyl)heptanoyl]amino] ester Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)ONC(=O)CCCCCC(C#N)(C2=NC3=CC=CC=C3C=C2)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)ONC(=O)CCCCCC(C#N)(C2=NC3=CC=CC=C3C=C2)C4=CC=CS4

InChI

InChI=1S/C28H25N3O3S/c29-20-28(25-14-9-19-35-25,24-17-16-21-10-6-7-13-23(21)30-24)18-8-2-5-15-26(32)31-34-27(33)22-11-3-1-4-12-22/h1,3-4,6-7,9-14,16-17,19H,2,5,8,15,18H2,(H,31,32)