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

Systemtic Name: 4-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonyloxy-butyl]thiophene-2-carboxylic acid Openeye Name: 5-[4-(tert-butoxycarbonylamino)-3-methylsulfonyloxy-butyl]-4-methyl-thiophene-2-carboxylic acid CAS Name: 4-methyl-5-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-methylsulfonyloxybutyl]-2-thiophenecarboxylic acid IUPAC Name: 4-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonyloxybutyl]thiophene-2-carboxylic acid Traditional Name: 5-[4-(tert-butoxycarbonylamino)-3-methylsulfonyloxy-butyl]-4-methyl-2-thenoic acid Formula: C16H25NO7S2 MolecularWeight: 407.5022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=O)O)CCC(CNC(=O)OC(C)(C)C)OS(=O)(=O)C

Isomeric SMILES

CC1=C(SC(=C1)C(=O)O)CCC(CNC(=O)OC(C)(C)C)OS(=O)(=O)C

InChI

InChI=1S/C16H25NO7S2/c1-10-8-13(14(18)19)25-12(10)7-6-11(24-26(5,21)22)9-17-15(20)23-16(2,3)4/h8,11H,6-7,9H2,1-5H3,(H,17,20)(H,18,19)