2-[(2-phenylquinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-[(2-phenylquinolin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[(2-phenylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[(2-phenylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[(2-phenylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C25H20N2O3S MolecularWeight: 428.5029

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C25H20N2O3S/c28-23(27-24-22(25(29)30)17-11-5-7-13-21(17)31-24)18-14-20(15-8-2-1-3-9-15)26-19-12-6-4-10-16(18)19/h1-4,6,8-10,12,14H,5,7,11,13H2,(H,27,28)(H,29,30)