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

Systemtic Name: [2-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C17H12FN3O5S MolecularWeight: 389.357683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C17H12FN3O5S/c1-9-6-10(2-5-13(9)21(24)25)16(23)26-8-15(22)20-17-19-12-4-3-11(18)7-14(12)27-17/h2-7H,8H2,1H3,(H,19,20,22)