[2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(4-fluoro-2-nitro-anilino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(4-fluoro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C18H14FN3O5S MolecularWeight: 403.384263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)NC3=C(C=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)NC3=C(C=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H14FN3O5S/c19-11-5-6-12(14(9-11)22(25)26)20-16(23)10-27-18(24)8-7-17-21-13-3-1-2-4-15(13)28-17/h1-6,9H,7-8,10H2,(H,20,23)