ethyl 2-[(1S)-1-deuterio-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethyl]-5H-1,3-thiazol-1-ium-4-carboxylate bromide

Systemtic Name: ethyl 2-[(1S)-1-deuterio-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethyl]-5H-1,3-thiazol-1-ium-4-carboxylate bromide Openeye Name: ethyl 2-[(1S)-1-(tert-butoxycarbonylamino)-1-deuterio-2-phenyl-ethyl]-5H-thiazol-1-ium-4-carboxylate bromide CAS Name: 2-[(1S)-1-deuterio-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-phenylethyl]-5H-thiazol-1-ium-4-carboxylic acid ethyl ester bromide IUPAC Name: ethyl 2-[(1S)-1-deuterio-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-5H-1,3-thiazol-1-ium-4-carboxylate bromide Traditional Name: 2-[(1S)-1-(tert-butoxycarbonylamino)-1-deuterio-2-phenyl-ethyl]-5H-thiazol-1-ium-4-carboxylic acid ethyl ester bromide Formula: C19H25BrN2O4S MolecularWeight: 458.387962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=[S+]C1)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C.[Br-]

Isomeric SMILES

[2H][C@](CC1=CC=CC=C1)(C2=[S+]CC(=N2)C(=O)OCC)NC(=O)OC(C)(C)C.[Br-]

InChI

InChI=1S/C19H24N2O4S.BrH/c1-5-24-17(22)15-12-26-16(20-15)14(11-13-9-7-6-8-10-13)21-18(23)25-19(2,3)4;/h6-10,14H,5,11-12H2,1-4H3;1H/t14-;/m0./s1/i14D;