tert-butyl (2S)-3-(5-bromanylthiophen-2-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: tert-butyl (2S)-3-(5-bromanylthiophen-2-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: tert-butyl (2S)-2-(benzyloxycarbonylamino)-3-(5-bromo-2-thienyl)propanoate CAS Name: (2S)-3-(5-bromo-2-thiophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-(5-bromothiophen-2-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(5-bromo-2-thienyl)propionic acid tert-butyl ester Formula: C19H22BrNO4S MolecularWeight: 440.35128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(S1)Br)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=C(S1)Br)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H22BrNO4S/c1-19(2,3)25-17(22)15(11-14-9-10-16(20)26-14)21-18(23)24-12-13-7-5-4-6-8-13/h4-10,15H,11-12H2,1-3H3,(H,21,23)/t15-/m0/s1