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ethyl 3-[[2-(bromomethyl)-1,3-benzothiazol-5-yl]carbonyl-phenyl-amino]propanoate

ethyl 3-[[2-(bromomethyl)-1,3-benzothiazol-5-yl]carbonyl-phenyl-amino]propanoate

Systemtic Name:ethyl 3-[[2-(bromomethyl)-1,3-benzothiazol-5-yl]carbonyl-phenyl-amino]propanoate
Openeye Name:ethyl 3-(N-[2-(bromomethyl)-1,3-benzothiazole-5-carbonyl]anilino)propanoate
CAS Name:3-(N-[[2-(bromomethyl)-1,3-benzothiazol-5-yl]-oxomethyl]anilino)propanoic acid ethyl ester
IUPAC Name:ethyl 3-(N-[2-(bromomethyl)-1,3-benzothiazole-5-carbonyl]anilino)propanoate
Traditional Name:3-(N-[2-(bromomethyl)-1,3-benzothiazole-5-carbonyl]anilino)propionic acid ethyl ester
Formula: C20H19BrN2O3S
MolecularWeight: 447.34546
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)SC(=N3)CBr


Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)SC(=N3)CBr


InChI

InChI=1S/C20H19BrN2O3S/c1-2-26-19(24)10-11-23(15-6-4-3-5-7-15)20(25)14-8-9-17-16(12-14)22-18(13-21)27-17/h3-9,12H,2,10-11,13H2,1H3


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