2-[4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]carbonylcyclobutane-1-carboxylic acid

Systemtic Name: 2-[4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]carbonylcyclobutane-1-carboxylic acid Openeye Name: 2-[4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclobutanecarboxylic acid CAS Name: 2-[[4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]-oxomethyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2-[4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclobutane-1-carboxylic acid Traditional Name: 2-[4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclobutanecarboxylic acid Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)C5CCC5C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)C5CCC5C(=O)O

InChI

InChI=1S/C26H22N2O4S/c1-32-19-10-13-22-23(14-19)33-26(28-22)27-18-8-6-16(7-9-18)15-2-4-17(5-3-15)24(29)20-11-12-21(20)25(30)31/h2-10,13-14,20-21H,11-12H2,1H3,(H,27,28)(H,30,31)