[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)C1=CC2=C(C=C1)OCCO2)NC(=O)N

Isomeric SMILES

CSCC[C@@H](C(=O)OCC(=O)C1=CC2=C(C=C1)OCCO2)NC(=O)N

InChI

InChI=1S/C16H20N2O6S/c1-25-7-4-11(18-16(17)21)15(20)24-9-12(19)10-2-3-13-14(8-10)23-6-5-22-13/h2-3,8,11H,4-7,9H2,1H3,(H3,17,18,21)/t11-/m0/s1