5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonyloxy-butyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonyloxy-butyl]thiophene-2-carboxylic acid Openeye Name: 5-[4-(tert-butoxycarbonylamino)-3-methylsulfonyloxy-butyl]thiophene-2-carboxylic acid CAS Name: 5-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-methylsulfonyloxybutyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonyloxybutyl]thiophene-2-carboxylic acid Traditional Name: 5-[4-(tert-butoxycarbonylamino)-3-methylsulfonyloxy-butyl]-2-thenoic acid Formula: C15H23NO7S2 MolecularWeight: 393.47562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(CCC1=CC=C(S1)C(=O)O)OS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)NCC(CCC1=CC=C(S1)C(=O)O)OS(=O)(=O)C

InChI

InChI=1S/C15H23NO7S2/c1-15(2,3)22-14(19)16-9-10(23-25(4,20)21)5-6-11-7-8-12(24-11)13(17)18/h7-8,10H,5-6,9H2,1-4H3,(H,16,19)(H,17,18)