2-(2,3-dihydro-1-benzothiophen-2-ylcarbonylamino)-3-methyl-butanoic acid

Systemtic Name: 2-(2,3-dihydro-1-benzothiophen-2-ylcarbonylamino)-3-methyl-butanoic acid Openeye Name: 2-(2,3-dihydrobenzothiophene-2-carbonylamino)-3-methyl-butanoic acid CAS Name: 2-[[2,3-dihydro-1-benzothiophen-2-yl(oxo)methyl]amino]-3-methylbutanoic acid IUPAC Name: 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-3-methylbutanoic acid Traditional Name: 2-(2,3-dihydrobenzothiophene-2-carbonylamino)-3-methyl-butyric acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1CC2=CC=CC=C2S1

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1CC2=CC=CC=C2S1

InChI

InChI=1S/C14H17NO3S/c1-8(2)12(14(17)18)15-13(16)11-7-9-5-3-4-6-10(9)19-11/h3-6,8,11-12H,7H2,1-2H3,(H,15,16)(H,17,18)