2-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(7-chloropiperonyloyl)amino]-4-(methylthio)butyric acid Formula: C13H14ClNO5S MolecularWeight: 331.77196

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC2=C(C(=C1)Cl)OCO2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC2=C(C(=C1)Cl)OCO2

InChI

InChI=1S/C13H14ClNO5S/c1-21-3-2-9(13(17)18)15-12(16)7-4-8(14)11-10(5-7)19-6-20-11/h4-5,9H,2-3,6H2,1H3,(H,15,16)(H,17,18)