2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-methyl-butyric acid Formula: C14H14ClNO3S MolecularWeight: 311.78386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C14H14ClNO3S/c1-7(2)11(14(18)19)16-13(17)12-10(15)8-5-3-4-6-9(8)20-12/h3-7,11H,1-2H3,(H,16,17)(H,18,19)