methyl 2-[2-[4-(diethylamino)phenyl]carbonylimino-4-fluoranyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[4-(diethylamino)phenyl]carbonylimino-4-fluoranyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-(diethylamino)benzoyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(diethylamino)phenyl]-oxomethyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(diethylamino)benzoyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(diethylamino)benzoyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22FN3O3S MolecularWeight: 415.481083

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)F)CC(=O)OC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)F)CC(=O)OC

InChI

InChI=1S/C21H22FN3O3S/c1-4-24(5-2)15-11-9-14(10-12-15)20(27)23-21-25(13-18(26)28-3)19-16(22)7-6-8-17(19)29-21/h6-12H,4-5,13H2,1-3H3