ethyl 4-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(6-bromo-1,3-benzothiazol-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(6-bromo-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(6-bromo-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(6-bromo-1,3-benzothiazol-2-yl)amino]-4-keto-butyric acid ethyl ester Formula: C13H13BrN2O3S MolecularWeight: 357.22292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=NC2=C(S1)C=C(C=C2)Br

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=NC2=C(S1)C=C(C=C2)Br

InChI

InChI=1S/C13H13BrN2O3S/c1-2-19-12(18)6-5-11(17)16-13-15-9-4-3-8(14)7-10(9)20-13/h3-4,7H,2,5-6H2,1H3,(H,15,16,17)