(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-(methylthio)butyrate Formula: C14H17N2O5S- MolecularWeight: 325.36018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)NC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)NC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C14H18N2O5S/c1-22-7-4-10(13(17)18)16-14(19)15-9-2-3-11-12(8-9)21-6-5-20-11/h2-3,8,10H,4-7H2,1H3,(H,17,18)(H2,15,16,19)/p-1/t10-/m0/s1