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

Systemtic Name: ethyl 3-[2-(4-ethoxyphenyl)carbonylimino-6-fluoranyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(4-ethoxybenzoyl)imino-6-fluoro-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-ethoxyphenyl)-oxomethyl]imino-6-fluoro-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-ethoxybenzoyl)imino-6-fluoro-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-ethoxybenzoyl)imino-6-fluoro-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=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)F)CCC(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)F)CCC(=O)OCC

InChI

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