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

Systemtic Name: methyl 2-[6-bromanyl-2-[4-(diethylamino)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-[4-(diethylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[[4-(diethylamino)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-[4-(diethylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[4-(diethylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC(=O)OC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC(=O)OC

InChI

InChI=1S/C21H22BrN3O3S/c1-4-24(5-2)16-9-6-14(7-10-16)20(27)23-21-25(13-19(26)28-3)17-11-8-15(22)12-18(17)29-21/h6-12H,4-5,13H2,1-3H3