1-[[3-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]carbonylamino]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[[3-(quinolin-2-ylmethoxy)-1-benzothiophen-2-yl]carbonylamino]cyclopentane-1-carboxylic acid Openeye Name: 1-[[3-(2-quinolylmethoxy)benzothiophene-2-carbonyl]amino]cyclopentanecarboxylic acid CAS Name: 1-[[oxo-[3-(2-quinolinylmethoxy)-1-benzothiophen-2-yl]methyl]amino]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[3-(quinolin-2-ylmethoxy)-1-benzothiophene-2-carbonyl]amino]cyclopentane-1-carboxylic acid Traditional Name: 1-[[3-(2-quinolylmethoxy)benzothiophene-2-carbonyl]amino]cyclopentanecarboxylic acid Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)O)NC(=O)C2=C(C3=CC=CC=C3S2)OCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCC(C1)(C(=O)O)NC(=O)C2=C(C3=CC=CC=C3S2)OCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H22N2O4S/c28-23(27-25(24(29)30)13-5-6-14-25)22-21(18-8-2-4-10-20(18)32-22)31-15-17-12-11-16-7-1-3-9-19(16)26-17/h1-4,7-12H,5-6,13-15H2,(H,27,28)(H,29,30)