4-cyano-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-methylsulfanyl-thiophene-2-carboxylic acid

Systemtic Name: 4-cyano-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 3-(tert-butoxycarbonylamino)-4-cyano-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-cyano-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-cyano-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 3-(tert-butoxycarbonylamino)-4-cyano-5-(methylthio)-2-thenoic acid Formula: C12H14N2O4S2 MolecularWeight: 314.38056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(SC(=C1C#N)SC)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(SC(=C1C#N)SC)C(=O)O

InChI

InChI=1S/C12H14N2O4S2/c1-12(2,3)18-11(17)14-7-6(5-13)10(19-4)20-8(7)9(15)16/h1-4H3,(H,14,17)(H,15,16)