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

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propylsulfonyl-thiophene-2-carboxylic acid Openeye Name: 3-(tert-butoxycarbonylamino)-4-propylsulfonyl-thiophene-2-carboxylic acid CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-propylsulfonyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propylsulfonylthiophene-2-carboxylic acid Traditional Name: 3-(tert-butoxycarbonylamino)-4-propylsulfonyl-2-thenoic acid Formula: C13H19NO6S2 MolecularWeight: 349.42306

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CSC(=C1NC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CCCS(=O)(=O)C1=CSC(=C1NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C13H19NO6S2/c1-5-6-22(18,19)8-7-21-10(11(15)16)9(8)14-12(17)20-13(2,3)4/h7H,5-6H2,1-4H3,(H,14,17)(H,15,16)