2-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(3,6-dichlorobenzothiophene-2-carbonyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(3,6-dichlorobenzothiophene-2-carbonyl)amino]-3-methyl-butyric acid Formula: C14H13Cl2NO3S MolecularWeight: 346.22892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H13Cl2NO3S/c1-6(2)11(14(19)20)17-13(18)12-10(16)8-4-3-7(15)5-9(8)21-12/h3-6,11H,1-2H3,(H,17,18)(H,19,20)