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

Systemtic Name: 2-[4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]carbonylcyclopropane-1-carboxylic acid Openeye Name: 2-[4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclopropanecarboxylic acid CAS Name: 2-[[4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]-oxomethyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclopropane-1-carboxylic acid Traditional Name: 2-[4-[4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclopropanecarboxylic acid Formula: C25H20N2O4S MolecularWeight: 444.5023

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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)C5CC5C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)C5CC5C(=O)O

InChI

InChI=1S/C25H20N2O4S/c1-31-18-10-11-21-22(12-18)32-25(27-21)26-17-8-6-15(7-9-17)14-2-4-16(5-3-14)23(28)19-13-20(19)24(29)30/h2-12,19-20H,13H2,1H3,(H,26,27)(H,29,30)