5-[[[3-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxidanyl-phenyl]sulfonylamino]methyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[[[3-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxidanyl-phenyl]sulfonylamino]methyl]thiophene-2-carboxylic acid Openeye Name: 5-[[(3-tert-butoxycarbonyl-4-hydroxy-phenyl)sulfonylamino]methyl]thiophene-2-carboxylic acid CAS Name: 5-[[[4-hydroxy-3-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]sulfonylamino]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[[[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfonylamino]methyl]thiophene-2-carboxylic acid Traditional Name: 5-[[(3-tert-butoxycarbonyl-4-hydroxy-phenyl)sulfonylamino]methyl]-2-thenoic acid Formula: C17H19NO7S2 MolecularWeight: 413.46526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=C(S2)C(=O)O)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=C(S2)C(=O)O)O

InChI

InChI=1S/C17H19NO7S2/c1-17(2,3)25-16(22)12-8-11(5-6-13(12)19)27(23,24)18-9-10-4-7-14(26-10)15(20)21/h4-8,18-19H,9H2,1-3H3,(H,20,21)