methyl 3-[2-(3-fluorophenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(3-fluorophenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(3-fluorobenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(3-fluorophenyl)-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-fluorobenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(3-fluorobenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C18H14FN3O5S MolecularWeight: 403.384263

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C18H14FN3O5S/c1-27-16(23)7-8-21-14-6-5-13(22(25)26)10-15(14)28-18(21)20-17(24)11-3-2-4-12(19)9-11/h2-6,9-10H,7-8H2,1H3