ethyl 3-[2-(2-fluorophenyl)carbonylimino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-(2-fluorophenyl)carbonylimino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(2-fluorobenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(2-fluorophenyl)-oxomethyl]imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2-fluorobenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2-fluorobenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C21H21FN2O5S MolecularWeight: 432.465243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC=CC=C3F)OC)OC

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC=CC=C3F)OC)OC

InChI

InChI=1S/C21H21FN2O5S/c1-4-29-17(25)11-12-24-18-15(27-2)9-10-16(28-3)19(18)30-21(24)23-20(26)13-7-5-6-8-14(13)22/h5-10H,4,11-12H2,1-3H3