1-[[1-(1,3-benzothiazol-2-ylmethoxy)-4-chloranyl-naphthalen-2-yl]carbonylamino]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[[1-(1,3-benzothiazol-2-ylmethoxy)-4-chloranyl-naphthalen-2-yl]carbonylamino]cyclopentane-1-carboxylic acid Openeye Name: 1-[[1-(1,3-benzothiazol-2-ylmethoxy)-4-chloro-naphthalene-2-carbonyl]amino]cyclopentanecarboxylic acid CAS Name: 1-[[[1-(1,3-benzothiazol-2-ylmethoxy)-4-chloro-2-naphthalenyl]-oxomethyl]amino]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[1-(1,3-benzothiazol-2-ylmethoxy)-4-chloronaphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid Traditional Name: 1-[[1-(1,3-benzothiazol-2-ylmethoxy)-4-chloro-2-naphthoyl]amino]cyclopentanecarboxylic acid Formula: C25H21ClN2O4S MolecularWeight: 480.96324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)O)NC(=O)C2=C(C3=CC=CC=C3C(=C2)Cl)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC(C1)(C(=O)O)NC(=O)C2=C(C3=CC=CC=C3C(=C2)Cl)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H21ClN2O4S/c26-18-13-17(23(29)28-25(24(30)31)11-5-6-12-25)22(16-8-2-1-7-15(16)18)32-14-21-27-19-9-3-4-10-20(19)33-21/h1-4,7-10,13H,5-6,11-12,14H2,(H,28,29)(H,30,31)