ethyl 2-[[2,6-bis(fluoranyl)phenyl]carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[[2,6-bis(fluoranyl)phenyl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(2,6-difluorobenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(2,6-difluorophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2,6-difluorobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(2,6-difluorobenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C17H12F2N2O3S MolecularWeight: 362.350586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C17H12F2N2O3S/c1-2-24-16(23)9-6-7-12-13(8-9)25-17(20-12)21-15(22)14-10(18)4-3-5-11(14)19/h3-8H,2H2,1H3,(H,20,21,22)