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

Systemtic Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]phenyl]carbonylcyclopropane-1-carboxylic acid Openeye Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]benzoyl]cyclopropanecarboxylic acid CAS Name: 2-[[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]phenyl]-oxomethyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]benzoyl]cyclopropane-1-carboxylic acid Traditional Name: 2-[4-[4-(1,3-benzothiazol-2-ylamino)phenyl]benzoyl]cyclopropanecarboxylic acid Formula: C24H18N2O3S MolecularWeight: 414.47632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18N2O3S/c27-22(18-13-19(18)23(28)29)16-7-5-14(6-8-16)15-9-11-17(12-10-15)25-24-26-20-3-1-2-4-21(20)30-24/h1-12,18-19H,13H2,(H,25,26)(H,28,29)