(2S)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[(2R)-2,3-dihydrobenzofuran-2-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[(2R)-2,3-dihydrobenzofuran-2-yl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2R)-coumaran-2-carbonyl]amino]-4-(methylthio)butyrate Formula: C14H16NO4S- MolecularWeight: 294.34614

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1CC2=CC=CC=C2O1

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)[C@H]1CC2=CC=CC=C2O1

InChI

InChI=1S/C14H17NO4S/c1-20-7-6-10(14(17)18)15-13(16)12-8-9-4-2-3-5-11(9)19-12/h2-5,10,12H,6-8H2,1H3,(H,15,16)(H,17,18)/p-1/t10-,12+/m0/s1