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

Systemtic Name: ethyl 2-[6-bromanyl-2-[4-(diethylamino)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H24BrN3O3S MolecularWeight: 490.41326

Click to see the large picture

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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O3S/c1-4-25(5-2)17-10-7-15(8-11-17)21(28)24-22-26(14-20(27)29-6-3)18-12-9-16(23)13-19(18)30-22/h7-13H,4-6,14H2,1-3H3