4-[3-[(2-methyl-4-oxidanylidene-6,7-dihydro-5H-1-benzothiophen-5-yl)methylamino]-2-oxidanyl-cyclopentyl]oxybenzoic acid hydrochloride

Systemtic Name: 4-[3-[(2-methyl-4-oxidanylidene-6,7-dihydro-5H-1-benzothiophen-5-yl)methylamino]-2-oxidanyl-cyclopentyl]oxybenzoic acid hydrochloride Openeye Name: 4-[2-hydroxy-3-[(2-methyl-4-oxo-6,7-dihydro-5H-benzothiophen-5-yl)methylamino]cyclopentoxy]benzoic acid hydrochloride CAS Name: 4-[2-hydroxy-3-[(2-methyl-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)methylamino]cyclopentyl]oxybenzoic acid hydrochloride IUPAC Name: 4-[2-hydroxy-3-[(2-methyl-4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)methylamino]cyclopentyl]oxybenzoic acid hydrochloride Traditional Name: 4-[2-hydroxy-3-[(4-keto-2-methyl-6,7-dihydro-5H-benzothiophen-5-yl)methylamino]cyclopentoxy]benzoic acid hydrochloride Formula: C22H26ClNO5S MolecularWeight: 451.96354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)CCC(C2=O)CNC3CCC(C3O)OC4=CC=C(C=C4)C(=O)O.Cl

Isomeric SMILES

CC1=CC2=C(S1)CCC(C2=O)CNC3CCC(C3O)OC4=CC=C(C=C4)C(=O)O.Cl

InChI

InChI=1S/C22H25NO5S.ClH/c1-12-10-16-19(29-12)9-4-14(20(16)24)11-23-17-7-8-18(21(17)25)28-15-5-2-13(3-6-15)22(26)27;/h2-3,5-6,10,14,17-18,21,23,25H,4,7-9,11H2,1H3,(H,26,27);1H