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

Systemtic Name: ethyl 3-[[2-(bromomethyl)-1,3-benzothiazol-5-yl]oxycarbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-[N-[[2-(bromomethyl)-1,3-benzothiazol-5-yl]oxycarbonyl]anilino]propanoate CAS Name: 3-(N-[[2-(bromomethyl)-1,3-benzothiazol-5-yl]oxy-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-[N-[[2-(bromomethyl)-1,3-benzothiazol-5-yl]oxycarbonyl]anilino]propanoate Traditional Name: 3-[N-[[2-(bromomethyl)-1,3-benzothiazol-5-yl]oxycarbonyl]anilino]propionic acid ethyl ester Formula: C20H19BrN2O4S MolecularWeight: 463.34486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)OC2=CC3=C(C=C2)SC(=N3)CBr

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)OC2=CC3=C(C=C2)SC(=N3)CBr

InChI

InChI=1S/C20H19BrN2O4S/c1-2-26-19(24)10-11-23(14-6-4-3-5-7-14)20(25)27-15-8-9-17-16(12-15)22-18(13-21)28-17/h3-9,12H,2,10-11,13H2,1H3