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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]amino]-3-methyl-butanoic acid Openeye Name: 2-[(1,1-dioxo-2,3-dihydrobenzothiophen-3-yl)amino]-3-methyl-butanoic acid CAS Name: 2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-3-methylbutanoic acid IUPAC Name: 2-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]-3-methylbutanoic acid Traditional Name: 2-[(1,1-diketo-2,3-dihydrobenzothiophen-3-yl)amino]-3-methyl-butyric acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC1CS(=O)(=O)C2=CC=CC=C12

Isomeric SMILES

CC(C)C(C(=O)O)NC1CS(=O)(=O)C2=CC=CC=C12

InChI

InChI=1S/C13H17NO4S/c1-8(2)12(13(15)16)14-10-7-19(17,18)11-6-4-3-5-9(10)11/h3-6,8,10,12,14H,7H2,1-2H3,(H,15,16)