5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-(tert-butoxycarbonylamino)prop-1-ynyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]prop-1-ynyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-(tert-butoxycarbonylamino)prop-1-ynyl]-2-thenoic acid Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC#CC1=CC=C(S1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC#CC1=CC=C(S1)C(=O)O

InChI

InChI=1S/C13H15NO4S/c1-13(2,3)18-12(17)14-8-4-5-9-6-7-10(19-9)11(15)16/h6-7H,8H2,1-3H3,(H,14,17)(H,15,16)