4-[(4-methylthiophen-2-yl)-[[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]methyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-methylthiophen-2-yl)-[[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]methyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(4-methyl-2-thienyl)-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]amino]-4-oxo-butanoic acid CAS Name: 4-[(4-methyl-2-thiophenyl)-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(4-methylthiophen-2-yl)-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(4-methyl-2-thienyl)-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]amino]butyric acid Formula: C17H13F3N2O3S2 MolecularWeight: 414.42193

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)N(CC2=NC3=C(C(=CC(=C3S2)F)F)F)C(=O)CCC(=O)O

Isomeric SMILES

CC1=CSC(=C1)N(CC2=NC3=C(C(=CC(=C3S2)F)F)F)C(=O)CCC(=O)O

InChI

InChI=1S/C17H13F3N2O3S2/c1-8-4-13(26-7-8)22(12(23)2-3-14(24)25)6-11-21-16-15(20)9(18)5-10(19)17(16)27-11/h4-5,7H,2-3,6H2,1H3,(H,24,25)