ethyl 2-(6-bromanyl-2-pentanoylimino-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: ethyl 2-(6-bromanyl-2-pentanoylimino-1,3-benzothiazol-3-yl)ethanoate Openeye Name: ethyl 2-(6-bromo-2-pentanoylimino-1,3-benzothiazol-3-yl)acetate CAS Name: 2-[6-bromo-2-(1-oxopentylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(6-bromo-2-pentanoylimino-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(6-bromo-2-valerylimino-1,3-benzothiazol-3-yl)acetic acid ethyl ester Formula: C16H19BrN2O3S MolecularWeight: 399.30266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)Br)CC(=O)OCC

Isomeric SMILES

CCCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)Br)CC(=O)OCC

InChI

InChI=1S/C16H19BrN2O3S/c1-3-5-6-14(20)18-16-19(10-15(21)22-4-2)12-8-7-11(17)9-13(12)23-16/h7-9H,3-6,10H2,1-2H3