4-ethynyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylic acid

Systemtic Name: 4-ethynyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylic acid Openeye Name: 2-(tert-butoxycarbonylamino)-4-ethynyl-thiophene-3-carboxylic acid CAS Name: 4-ethynyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-ethynyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylic acid Traditional Name: 2-(tert-butoxycarbonylamino)-4-ethynyl-3-thenoic acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C(=CS1)C#C)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C(=CS1)C#C)C(=O)O

InChI

InChI=1S/C12H13NO4S/c1-5-7-6-18-9(8(7)10(14)15)13-11(16)17-12(2,3)4/h1,6H,2-4H3,(H,13,16)(H,14,15)