methyl 4-[2-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C17H12FN3O6S MolecularWeight: 405.357083

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C17H12FN3O6S/c1-26-16(23)9-2-5-13(12(6-9)21(24)25)27-8-15(22)20-17-19-11-4-3-10(18)7-14(11)28-17/h2-7H,8H2,1H3,(H,19,20,22)