ethyl 3-[6-ethoxy-2-(4-fluorophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[6-ethoxy-2-(4-fluorophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[6-ethoxy-2-(4-fluorobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-ethoxy-2-[(4-fluorophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-ethoxy-2-(4-fluorobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-ethoxy-2-(4-fluorobenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)F)S2)CCC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)F)S2)CCC(=O)OCC

InChI

InChI=1S/C21H21FN2O4S/c1-3-27-16-9-10-17-18(13-16)29-21(24(17)12-11-19(25)28-4-2)23-20(26)14-5-7-15(22)8-6-14/h5-10,13H,3-4,11-12H2,1-2H3