2-(4-bromanyl-3-phenylmethoxy-1,2-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoic acid

Systemtic Name: 2-(4-bromanyl-3-phenylmethoxy-1,2-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoic acid Openeye Name: 2-(3-benzyloxy-4-bromo-isothiazol-5-yl)-2-(tert-butoxycarbonylamino)acetic acid CAS Name: 2-(4-bromo-3-phenylmethoxy-5-isothiazolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid IUPAC Name: 2-(4-bromo-3-phenylmethoxy-1,2-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid Traditional Name: 2-(3-benzoxy-4-bromo-isothiazol-5-yl)-2-(tert-butoxycarbonylamino)acetic acid Formula: C17H19BrN2O5S MolecularWeight: 443.31216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=C(C(=NS1)OCC2=CC=CC=C2)Br)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1=C(C(=NS1)OCC2=CC=CC=C2)Br)C(=O)O

InChI

InChI=1S/C17H19BrN2O5S/c1-17(2,3)25-16(23)19-12(15(21)22)13-11(18)14(20-26-13)24-9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3,(H,19,23)(H,21,22)