2-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]phenyl]carbonylcyclobutane-1-carboxylic acid

Systemtic Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]phenyl]carbonylcyclobutane-1-carboxylic acid Openeye Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]benzoyl]cyclobutanecarboxylic acid CAS Name: 2-[[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]phenyl]-oxomethyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]benzoyl]cyclobutane-1-carboxylic acid Traditional Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]benzoyl]cyclobutanecarboxylic acid Formula: C25H20N2O3S MolecularWeight: 428.5029

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)NC4=NC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

C1CC(C1C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)NC4=NC5=CC=CC=C5S4)C(=O)O

InChI

InChI=1S/C25H20N2O3S/c28-23(19-13-14-20(19)24(29)30)17-7-5-15(6-8-17)16-9-11-18(12-10-16)26-25-27-21-3-1-2-4-22(21)31-25/h1-12,19-20H,13-14H2,(H,26,27)(H,29,30)