methyl 2-[[3-aminocarbonyl-2,4-bis(fluoranyl)phenoxy]methyl]-1,3-benzothiazole-5-carboxylate

Systemtic Name: methyl 2-[[3-aminocarbonyl-2,4-bis(fluoranyl)phenoxy]methyl]-1,3-benzothiazole-5-carboxylate Openeye Name: methyl 2-[(3-carbamoyl-2,4-difluoro-phenoxy)methyl]-1,3-benzothiazole-5-carboxylate CAS Name: 2-[(3-carbamoyl-2,4-difluorophenoxy)methyl]-1,3-benzothiazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-carbamoyl-2,4-difluorophenoxy)methyl]-1,3-benzothiazole-5-carboxylate Traditional Name: 2-[(3-carbamoyl-2,4-difluoro-phenoxy)methyl]-1,3-benzothiazole-5-carboxylic acid methyl ester Formula: C17H12F2N2O4S MolecularWeight: 378.349986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)SC(=N2)COC3=C(C(=C(C=C3)F)C(=O)N)F

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)SC(=N2)COC3=C(C(=C(C=C3)F)C(=O)N)F

InChI

InChI=1S/C17H12F2N2O4S/c1-24-17(23)8-2-5-12-10(6-8)21-13(26-12)7-25-11-4-3-9(18)14(15(11)19)16(20)22/h2-6H,7H2,1H3,(H2,20,22)