2-[[1,1-bis(oxidanylidene)-1-benzothiophen-4-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1-benzothiophen-4-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(1,1-dioxobenzothiophene-4-carbonyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[(1,1-dioxo-1-benzothiophen-4-yl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(1,1-dioxo-1-benzothiophene-4-carbonyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(1,1-diketobenzothiophene-4-carbonyl)amino]-3-methyl-butyric acid Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=C2C=CS(=O)(=O)C2=CC=C1

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=C2C=CS(=O)(=O)C2=CC=C1

InChI

InChI=1S/C14H15NO5S/c1-8(2)12(14(17)18)15-13(16)10-4-3-5-11-9(10)6-7-21(11,19)20/h3-8,12H,1-2H3,(H,15,16)(H,17,18)