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

Systemtic Name: 2-[(5-chloranyl-2,3-dihydro-1-benzofuran-2-yl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(5-chloro-2,3-dihydrobenzofuran-2-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(5-chloro-2,3-dihydrobenzofuran-2-yl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(5-chlorocoumaran-2-carbonyl)amino]-4-(methylthio)butyric acid Formula: C14H16ClNO4S MolecularWeight: 329.79914

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1CC2=C(O1)C=CC(=C2)Cl

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1CC2=C(O1)C=CC(=C2)Cl

InChI

InChI=1S/C14H16ClNO4S/c1-21-5-4-10(14(18)19)16-13(17)12-7-8-6-9(15)2-3-11(8)20-12/h2-3,6,10,12H,4-5,7H2,1H3,(H,16,17)(H,18,19)