3-(5-chloranylthiophen-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(5-chloranylthiophen-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(5-chloro-2-thienyl)propanoic acid CAS Name: 3-(5-chloro-2-thiophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(5-chlorothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(5-chloro-2-thienyl)propionic acid Formula: C12H16ClNO4S MolecularWeight: 305.77774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(S1)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(S1)Cl)C(=O)O

InChI

InChI=1S/C12H16ClNO4S/c1-12(2,3)18-11(17)14-8(10(15)16)6-7-4-5-9(13)19-7/h4-5,8H,6H2,1-3H3,(H,14,17)(H,15,16)