6-fluoranyl-1,3-benzothiazol-2-amine; 2-[[4-methyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 6-fluoranyl-1,3-benzothiazol-2-amine; 2-[[4-methyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 6-fluoro-1,3-benzothiazol-2-amine; 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 6-fluoro-1,3-benzothiazol-2-amine; 2-[[[4-methyl-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 6-fluoro-1,3-benzothiazol-2-amine; 2-[[4-methyl-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (6-fluoro-1,3-benzothiazol-2-yl)amine; 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C27H28FN3O3S2 MolecularWeight: 525.657923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C.C1=CC2=C(C=C1F)SC(=N2)N

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C.C1=CC2=C(C=C1F)SC(=N2)N

InChI

InChI=1S/C20H23NO3S.C7H5FN2S/c1-13-8-9-16(17(12-13)15-7-5-4-6-14(15)2)19(22)21-18(20(23)24)10-11-25-3;8-4-1-2-5-6(3-4)11-7(9)10-5/h4-9,12,18H,10-11H2,1-3H3,(H,21,22)(H,23,24);1-3H,(H2,9,10)