2-(1-benzothiophen-2-ylcarbonylamino)-3-methyl-pentanoic acid

Systemtic Name: 2-(1-benzothiophen-2-ylcarbonylamino)-3-methyl-pentanoic acid Openeye Name: 2-(benzothiophene-2-carbonylamino)-3-methyl-pentanoic acid CAS Name: 2-[[1-benzothiophen-2-yl(oxo)methyl]amino]-3-methylpentanoic acid IUPAC Name: 2-(1-benzothiophene-2-carbonylamino)-3-methylpentanoic acid Traditional Name: 2-(benzothiophene-2-carbonylamino)-3-methyl-valeric acid Formula: C15H17NO3S MolecularWeight: 291.36538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1=CC2=CC=CC=C2S1

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C1=CC2=CC=CC=C2S1

InChI

InChI=1S/C15H17NO3S/c1-3-9(2)13(15(18)19)16-14(17)12-8-10-6-4-5-7-11(10)20-12/h4-9,13H,3H2,1-2H3,(H,16,17)(H,18,19)