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

Systemtic Name: 2-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]carbonylcyclobutane-1-carboxylic acid Openeye Name: 2-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclobutanecarboxylic acid CAS Name: 2-[[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]-oxomethyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclobutane-1-carboxylic acid Traditional Name: 2-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclobutanecarboxylic acid Formula: C26H22N2O3S MolecularWeight: 442.52948

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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)C5CCC5C(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)C5CCC5C(=O)O

InChI

InChI=1S/C26H22N2O3S/c1-15-3-2-4-22-23(15)28-26(32-22)27-19-11-9-17(10-12-19)16-5-7-18(8-6-16)24(29)20-13-14-21(20)25(30)31/h2-12,20-21H,13-14H2,1H3,(H,27,28)(H,30,31)