methyl 3-(6-bromanyl-2-pentanoylimino-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: methyl 3-(6-bromanyl-2-pentanoylimino-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-(6-bromo-2-pentanoylimino-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-[6-bromo-2-(1-oxopentylimino)-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-(6-bromo-2-pentanoylimino-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(6-bromo-2-valerylimino-1,3-benzothiazol-3-yl)propionic acid methyl 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)CCC(=O)OC

Isomeric SMILES

CCCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)Br)CCC(=O)OC

InChI

InChI=1S/C16H19BrN2O3S/c1-3-4-5-14(20)18-16-19(9-8-15(21)22-2)12-7-6-11(17)10-13(12)23-16/h6-7,10H,3-5,8-9H2,1-2H3