4-[[6,7-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl-(4-propylthiophen-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[6,7-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl-(4-propylthiophen-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(6,7-difluoro-1,3-benzothiazol-2-yl)methyl-(4-propyl-2-thienyl)amino]-4-oxo-butanoic acid CAS Name: 4-[(6,7-difluoro-1,3-benzothiazol-2-yl)methyl-(4-propyl-2-thiophenyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(6,7-difluoro-1,3-benzothiazol-2-yl)methyl-(4-propylthiophen-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(6,7-difluoro-1,3-benzothiazol-2-yl)methyl-(4-propyl-2-thienyl)amino]-4-keto-butyric acid Formula: C19H18F2N2O3S2 MolecularWeight: 424.484626

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CSC(=C1)N(CC2=NC3=C(S2)C(=C(C=C3)F)F)C(=O)CCC(=O)O

Isomeric SMILES

CCCC1=CSC(=C1)N(CC2=NC3=C(S2)C(=C(C=C3)F)F)C(=O)CCC(=O)O

InChI

InChI=1S/C19H18F2N2O3S2/c1-2-3-11-8-16(27-10-11)23(15(24)6-7-17(25)26)9-14-22-13-5-4-12(20)18(21)19(13)28-14/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,25,26)