methyl 2-[2-[4-(diethylamino)phenyl]carbonylimino-4,6-bis(fluoranyl)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[4-(diethylamino)phenyl]carbonylimino-4,6-bis(fluoranyl)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-(diethylamino)benzoyl]imino-4,6-difluoro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(diethylamino)phenyl]-oxomethyl]imino-4,6-difluoro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(diethylamino)benzoyl]imino-4,6-difluoro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(diethylamino)benzoyl]imino-4,6-difluoro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H21F2N3O3S MolecularWeight: 433.471546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21F2N3O3S/c1-4-25(5-2)15-8-6-13(7-9-15)20(28)24-21-26(12-18(27)29-3)19-16(23)10-14(22)11-17(19)30-21/h6-11H,4-5,12H2,1-3H3