2-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]carbonylcyclopentane-1-carboxylic acid

Systemtic Name: 2-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]carbonylcyclopentane-1-carboxylic acid Openeye Name: 2-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclopentanecarboxylic acid CAS Name: 2-[[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]-oxomethyl]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid Traditional Name: 2-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclopentanecarboxylic acid Formula: C27H24N2O3S MolecularWeight: 456.55606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)C5CCCC5C(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)C5CCCC5C(=O)O

InChI

InChI=1S/C27H24N2O3S/c1-16-4-2-7-23-24(16)29-27(33-23)28-20-14-12-18(13-15-20)17-8-10-19(11-9-17)25(30)21-5-3-6-22(21)26(31)32/h2,4,7-15,21-22H,3,5-6H2,1H3,(H,28,29)(H,31,32)