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

Systemtic Name: methyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-4-methylsulfanyl-butanoate Openeye Name: methyl (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)butanoic acid methyl ester IUPAC Name: methyl (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)butyric acid methyl ester Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NC1=CC2=C(C=C1)OCCO2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)NC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C15H20N2O5S/c1-20-14(18)11(5-8-23-2)17-15(19)16-10-3-4-12-13(9-10)22-7-6-21-12/h3-4,9,11H,5-8H2,1-2H3,(H2,16,17,19)/t11-/m0/s1